2-chloro-N-[4-[[(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide

C22H18ClN3O4 — CID 1246601

IUPAC2-chloro-N-[4-[[(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
SMILESCOc1cccc(C=NNC(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c1O
InChIInChI=1S/C22H18ClN3O4/c1-30-19-8-4-5-15(20(19)27)13-24-26-21(28)14-9-11-16(12-10-14)25-22(29)17-6-2-3-7-18(17)23/h2-13,27H,1H3,(H,25,29)(H,26,28)
InChIKeyOVZKUOVEJATCFD-UHFFFAOYSA-N
MW423.86 g/mol
LogP4.07
Rot. Bonds6

About 2-chloro-N-[4-[[(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide

2-chloro-N-[4-[[(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide (PubChem CID 1246601) has the molecular formula C22H18ClN3O4 and a molecular weight of 423.86 g/mol. Its IUPAC name is 2-chloro-N-[4-[[(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[[(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
PubChem CID1246601
Molecular FormulaC22H18ClN3O4
Molecular Weight423.86 g/mol
Exact Mass423.10
IUPAC Name2-chloro-N-[4-[[(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
SMILESCOc1cccc(C=NNC(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c1O
InChIInChI=1S/C22H18ClN3O4/c1-30-19-8-4-5-15(20(19)27)13-24-26-21(28)14-9-11-16(12-10-14)25-22(29)17-6-2-3-7-18(17)23/h2-13,27H,1H3,(H,25,29)(H,26,28)
InChIKeyOVZKUOVEJATCFD-UHFFFAOYSA-N
XLogP4.07
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.86
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-chloro-N-[4-[[(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[3-[[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 136897253
4-acetamido-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136749454
2-chloro-N-[4-[[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 3923185
N-[4-[[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-chlorobenzamide
CID 171134368
N-[4-[[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-chlorobenzamide
CID 135929951
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide
CID 136817906
2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 136706071
N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
CID 3644481
2-chloro-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135578299
2-chloro-N-[4-[[(Z)-(2,4-dihydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 136890963
N-(2-chlorophenyl)-N'-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 136739203
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
CID 136663553

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[[(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-[[(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide (CID 1246601) is 2-chloro-N-[4-[[(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-[[(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-[[(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide is COc1cccc(C=NNC(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c1O.
What is the InChIKey of 2-chloro-N-[4-[[(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide?
The InChIKey is OVZKUOVEJATCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O4/c1-30-19-8-4-5-15(20(19)27)13-24-26-21(28)14-9-11-16(12-10-14)25-22(29)17-6-2-3-7-18(17)23/h2-13,27H,1H3,(H,25,29)(H,26,28).
What are the key properties of 2-chloro-N-[4-[[(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide?
2-chloro-N-[4-[[(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide has a molecular weight of 423.86 g/mol, XLogP of 4.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[[(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 1246601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).