3-chloro-4-[(2-methylanilino)methyl]benzamide

C15H15ClN2O — CID 102663959

IUPAC3-chloro-4-[(2-methylanilino)methyl]benzamide
SMILESCc1ccccc1NCc1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C15H15ClN2O/c1-10-4-2-3-5-14(10)18-9-12-7-6-11(15(17)19)8-13(12)16/h2-8,18H,9H2,1H3,(H2,17,19)
InChIKeyVCTLZDSVQIEXFV-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.36
Rot. Bonds4

About 3-chloro-4-[(2-methylanilino)methyl]benzamide

3-chloro-4-[(2-methylanilino)methyl]benzamide (PubChem CID 102663959) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 3-chloro-4-[(2-methylanilino)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-[(2-methylanilino)methyl]benzamide
PubChem CID102663959
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name3-chloro-4-[(2-methylanilino)methyl]benzamide
SMILESCc1ccccc1NCc1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C15H15ClN2O/c1-10-4-2-3-5-14(10)18-9-12-7-6-11(15(17)19)8-13(12)16/h2-8,18H,9H2,1H3,(H2,17,19)
InChIKeyVCTLZDSVQIEXFV-UHFFFAOYSA-N
XLogP3.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-chloro-4-[(2-methylanilino)methyl]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

3-chloro-4-[(2-cyano-3-methylanilino)methyl]benzamide
CID 107804640
N-[(2,4-dichlorophenyl)methyl]-2-methylaniline
CID 28557135
3-chloro-4-[(3,5-dimethylanilino)methyl]benzamide
CID 102663918
3-chloro-4-[(2,4,5-trifluoroanilino)methyl]benzamide
CID 102664471
4-[(2-chloroanilino)methyl]-3-fluorobenzamide
CID 28581400
4-[(4-bromo-3-methylanilino)methyl]-3-chlorobenzamide
CID 102663836
4-[(3-chloro-2-methylanilino)methyl]-3-fluorobenzamide
CID 28572208
3-chloro-4-[(2,6-dibromoanilino)methyl]benzamide
CID 107598781
4-[(5-chloro-2-methylanilino)methyl]-3-fluorobenzamide
CID 28562952
3-chloro-4-[(4-methoxy-3-methylanilino)methyl]benzamide
CID 102664294
3-chloro-4-[(2-methylphenoxy)methyl]benzamide
CID 102670666
4-[[2-(methoxymethyl)anilino]methyl]-3-methylbenzamide
CID 114480071

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(2-methylanilino)methyl]benzamide?
The IUPAC name of 3-chloro-4-[(2-methylanilino)methyl]benzamide (CID 102663959) is 3-chloro-4-[(2-methylanilino)methyl]benzamide.
What is the SMILES notation for 3-chloro-4-[(2-methylanilino)methyl]benzamide?
The canonical SMILES for 3-chloro-4-[(2-methylanilino)methyl]benzamide is Cc1ccccc1NCc1ccc(C(N)=O)cc1Cl.
What is the InChIKey of 3-chloro-4-[(2-methylanilino)methyl]benzamide?
The InChIKey is VCTLZDSVQIEXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-10-4-2-3-5-14(10)18-9-12-7-6-11(15(17)19)8-13(12)16/h2-8,18H,9H2,1H3,(H2,17,19).
What are the key properties of 3-chloro-4-[(2-methylanilino)methyl]benzamide?
3-chloro-4-[(2-methylanilino)methyl]benzamide has a molecular weight of 274.75 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(2-methylanilino)methyl]benzamide is sourced from PubChem (CID 102663959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).