ISDA: 35YH

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: A1DIP

IUPAC Name: 3-(2-chloroacetamido)-N-(3-hydroxyphenyl)benzamide

Formal Charge: 0

Type: non-polymer

Substructure

Substruture Type: MurckoScaffold

SMILES: O=C(Nc1ccccc1)c1ccccc1

InChI: InChI=1S/C13H11NO/c15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h1-10H,(H,14,15)

InChI Key: ZVSKZLHKADLHSD-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C15 H13 Cl N2 O3

Molecular weight: 304.728

Hydrogen Bond Acceptor: 3

Hydrogen Bond Donor: 3

Rotatable Bonds: 5

Heavy Atoms: 21

Systematic name

Program	Version	Descriptor
ACDLabs	14.52	3-(2-chloroacetamido)-N-(3-hydroxyphenyl)benzamide
OpenEye OEToolkits	3.1.0.0	3-(2-chloranylethanoylamino)-~{N}-(3-hydroxyphenyl)benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	Oc1cccc(NC(=O)c2cccc(NC(=O)CCl)c2)c1
InChI	InChI	1.06	InChI=1S/C15H13ClN2O3/c16-9-14(20)17-11-4-1-3-10(7-11)15(21)18-12-5-2-6-13(19)8-12/h1-8,19H,9H2,(H,17,20)(H,18,21)
InChIKey	InChI	1.06	XAPOQGBXJJRFCB-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Oc1cccc(NC(=O)c2cccc(NC(=O)CCl)c2)c1
SMILES	CACTVS	3.385	Oc1cccc(NC(=O)c2cccc(NC(=O)CCl)c2)c1
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	c1cc(cc(c1)NC(=O)CCl)C(=O)Nc2cccc(c2)O
SMILES	OpenEye OEToolkits	3.1.0.0	c1cc(cc(c1)NC(=O)CCl)C(=O)Nc2cccc(c2)O