N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide

C15H13ClN2O2 — CID 3850577

IUPACN-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(C=NNC(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C15H13ClN2O2/c1-20-14-8-7-11(9-13(14)16)10-17-18-15(19)12-5-3-2-4-6-12/h2-10H,1H3,(H,18,19)
InChIKeyUOTMKBHPGPZPAW-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.11
Rot. Bonds4

About N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide

N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide (PubChem CID 3850577) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide
PubChem CID3850577
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC NameN-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(C=NNC(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C15H13ClN2O2/c1-20-14-8-7-11(9-13(14)16)10-17-18-15(19)12-5-3-2-4-6-12/h2-10H,1H3,(H,18,19)
InChIKeyUOTMKBHPGPZPAW-UHFFFAOYSA-N
XLogP3.11
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3-chloro-4-methoxyphenyl)methylideneamino]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

N-[(Z)-(3-chloro-4-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 5416142
N-[(3-chloro-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 870831
N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 900213
N-[(Z)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 136661481
[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenyl] 2-chlorobenzoate
CID 4292329
N-[(3-chloro-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 871932
N-[[4-[2-[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenoxy]ethoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 70231096
N-[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 110507173
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 5064739
2,4-dichloro-N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide
CID 3849495
N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 126333569
N-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-ethoxy-3-methoxybenzamide
CID 126316989

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide (CID 3850577) is N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide is COc1ccc(C=NNC(=O)c2ccccc2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is UOTMKBHPGPZPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c1-20-14-8-7-11(9-13(14)16)10-17-18-15(19)12-5-3-2-4-6-12/h2-10H,1H3,(H,18,19).
What are the key properties of N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide?
N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide has a molecular weight of 288.73 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 3850577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).