2-chloro-N-[(Z)-(2,6-dimethylphenyl)methylideneamino]benzamide

C16H15ClN2O — CID 7416956

IUPAC2-chloro-N-[(Z)-(2,6-dimethylphenyl)methylideneamino]benzamide
SMILESCc1cccc(C)c1/C=N\NC(=O)c1ccccc1Cl
InChIInChI=1S/C16H15ClN2O/c1-11-6-5-7-12(2)14(11)10-18-19-16(20)13-8-3-4-9-15(13)17/h3-10H,1-2H3,(H,19,20)/b18-10-
InChIKeyXWAPSIHMHWDIRS-ZDLGFXPLSA-N
MW286.76 g/mol
LogP3.72
Rot. Bonds3

About 2-chloro-N-[(Z)-(2,6-dimethylphenyl)methylideneamino]benzamide

2-chloro-N-[(Z)-(2,6-dimethylphenyl)methylideneamino]benzamide (PubChem CID 7416956) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-chloro-N-[(Z)-(2,6-dimethylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(Z)-(2,6-dimethylphenyl)methylideneamino]benzamide
PubChem CID7416956
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name2-chloro-N-[(Z)-(2,6-dimethylphenyl)methylideneamino]benzamide
SMILESCc1cccc(C)c1/C=N\NC(=O)c1ccccc1Cl
InChIInChI=1S/C16H15ClN2O/c1-11-6-5-7-12(2)14(11)10-18-19-16(20)13-8-3-4-9-15(13)17/h3-10H,1-2H3,(H,19,20)/b18-10-
InChIKeyXWAPSIHMHWDIRS-ZDLGFXPLSA-N
XLogP3.72
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.72
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'}

Analyze 2-chloro-N-[(Z)-(2,6-dimethylphenyl)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)-(2,6-dichlorophenyl)methylideneamino]-2-methylbenzamide
CID 5418287
2-chloro-N-[(2-methylphenyl)methylideneamino]benzamide
CID 775121
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2-methylbenzamide
CID 5404066
2-amino-N-[(2,6-dichlorophenyl)methylideneamino]benzamide
CID 680916
N-[(2-chloro-6-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 137029868
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-[(3-chlorophenyl)methylideneamino]benzamide
CID 689911
2-chloro-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]benzamide
CID 1079704
2-chloro-N-[(Z)-[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]methylideneamino]benzamide
CID 6187957
2-hydroxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]benzamide
CID 6898847
2-chloro-N-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]benzamide
CID 9016239

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(Z)-(2,6-dimethylphenyl)methylideneamino]benzamide?
The IUPAC name of 2-chloro-N-[(Z)-(2,6-dimethylphenyl)methylideneamino]benzamide (CID 7416956) is 2-chloro-N-[(Z)-(2,6-dimethylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-chloro-N-[(Z)-(2,6-dimethylphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-chloro-N-[(Z)-(2,6-dimethylphenyl)methylideneamino]benzamide is Cc1cccc(C)c1/C=N\NC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(Z)-(2,6-dimethylphenyl)methylideneamino]benzamide?
The InChIKey is XWAPSIHMHWDIRS-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-11-6-5-7-12(2)14(11)10-18-19-16(20)13-8-3-4-9-15(13)17/h3-10H,1-2H3,(H,19,20)/b18-10-.
What are the key properties of 2-chloro-N-[(Z)-(2,6-dimethylphenyl)methylideneamino]benzamide?
2-chloro-N-[(Z)-(2,6-dimethylphenyl)methylideneamino]benzamide has a molecular weight of 286.76 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(Z)-(2,6-dimethylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 7416956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).