2-chloro-N-[(2-methylphenyl)methylideneamino]benzamide

C15H13ClN2O — CID 775121

IUPAC2-chloro-N-[(2-methylphenyl)methylideneamino]benzamide
SMILESCc1ccccc1C=NNC(=O)c1ccccc1Cl
InChIInChI=1S/C15H13ClN2O/c1-11-6-2-3-7-12(11)10-17-18-15(19)13-8-4-5-9-14(13)16/h2-10H,1H3,(H,18,19)
InChIKeyGCWRMXRTJWTJQG-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.41
Rot. Bonds3

About 2-chloro-N-[(2-methylphenyl)methylideneamino]benzamide

2-chloro-N-[(2-methylphenyl)methylideneamino]benzamide (PubChem CID 775121) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 2-chloro-N-[(2-methylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2-methylphenyl)methylideneamino]benzamide
PubChem CID775121
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name2-chloro-N-[(2-methylphenyl)methylideneamino]benzamide
SMILESCc1ccccc1C=NNC(=O)c1ccccc1Cl
InChIInChI=1S/C15H13ClN2O/c1-11-6-2-3-7-12(11)10-17-18-15(19)13-8-4-5-9-14(13)16/h2-10H,1H3,(H,18,19)
InChIKeyGCWRMXRTJWTJQG-UHFFFAOYSA-N
XLogP3.41
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-[(Z)-(2-methylphenyl)methylideneamino]benzamide
CID 5392167
2-chloro-N-[(Z)-(2,6-dimethylphenyl)methylideneamino]benzamide
CID 7416956
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2-methylbenzamide
CID 5404066
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-methylbenzamide
CID 5418287
2-chloro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
CID 4002314
2-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5396825
2-chloro-N-[(2-ethoxyphenyl)methylideneamino]benzamide
CID 904314
2-chloro-N-[(Z)-(5-methyl-2-methylsulfanylthiophen-3-yl)methylideneamino]benzamide
CID 5405018
2-bromo-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 4148800
2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 5332948
N-[(2-chloro-4-fluorophenyl)methylideneamino]-2-methylbenzamide
CID 4980851
2-chloro-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 6871464

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-methylphenyl)methylideneamino]benzamide?
The IUPAC name of 2-chloro-N-[(2-methylphenyl)methylideneamino]benzamide (CID 775121) is 2-chloro-N-[(2-methylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-chloro-N-[(2-methylphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-chloro-N-[(2-methylphenyl)methylideneamino]benzamide is Cc1ccccc1C=NNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(2-methylphenyl)methylideneamino]benzamide?
The InChIKey is GCWRMXRTJWTJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-11-6-2-3-7-12(11)10-17-18-15(19)13-8-4-5-9-14(13)16/h2-10H,1H3,(H,18,19).
What are the key properties of 2-chloro-N-[(2-methylphenyl)methylideneamino]benzamide?
2-chloro-N-[(2-methylphenyl)methylideneamino]benzamide has a molecular weight of 272.74 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-methylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 775121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).