3-(aminomethyl)-N-(4-chloro-2-methylphenyl)benzamide

C15H15ClN2O — CID 82546496

IUPAC3-(aminomethyl)-N-(4-chloro-2-methylphenyl)benzamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cccc(CN)c1
InChIInChI=1S/C15H15ClN2O/c1-10-7-13(16)5-6-14(10)18-15(19)12-4-2-3-11(8-12)9-17/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyQRCQNTKRWBSXLH-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.36
Rot. Bonds3

About 3-(aminomethyl)-N-(4-chloro-2-methylphenyl)benzamide

3-(aminomethyl)-N-(4-chloro-2-methylphenyl)benzamide (PubChem CID 82546496) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(4-chloro-2-methylphenyl)benzamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(4-chloro-2-methylphenyl)benzamide
PubChem CID82546496
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name3-(aminomethyl)-N-(4-chloro-2-methylphenyl)benzamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cccc(CN)c1
InChIInChI=1S/C15H15ClN2O/c1-10-7-13(16)5-6-14(10)18-15(19)12-4-2-3-11(8-12)9-17/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyQRCQNTKRWBSXLH-UHFFFAOYSA-N
XLogP3.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

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Related Compounds

N-(4-chloro-2-methylphenyl)-3-fluorobenzamide
CID 2671206
1-N-butyl-3-N-(4-chloro-2-methylphenyl)benzene-1,3-dicarboxamide
CID 109051168
3-N-(4-chloro-2-methylphenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054705
3-[4-(aminomethyl)-2-pyridinyl]-N-(5-chloro-2-methylphenyl)benzamide
CID 122516199
3,5-diamino-N-(4-chloro-2-methylphenyl)benzamide
CID 61093328
N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-3-methylbenzamide
CID 26666234
4-(aminomethyl)-N-(4-chloro-2-iodophenyl)benzamide
CID 107625383
N-(4-chloro-2-methylphenyl)-4-phenylbenzamide
CID 19174130
3-(aminomethyl)-N-(3-carbamoylphenyl)benzamide
CID 102978279
3-(aminomethyl)-N-(2,6-difluorophenyl)benzamide
CID 28974181
N-(4-amino-2,5-dimethylphenyl)-3-chlorobenzamide
CID 103144412
2-[[3-(aminomethyl)benzoyl]amino]benzoic acid
CID 82546564

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(4-chloro-2-methylphenyl)benzamide?
The IUPAC name of 3-(aminomethyl)-N-(4-chloro-2-methylphenyl)benzamide (CID 82546496) is 3-(aminomethyl)-N-(4-chloro-2-methylphenyl)benzamide.
What is the SMILES notation for 3-(aminomethyl)-N-(4-chloro-2-methylphenyl)benzamide?
The canonical SMILES for 3-(aminomethyl)-N-(4-chloro-2-methylphenyl)benzamide is Cc1cc(Cl)ccc1NC(=O)c1cccc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N-(4-chloro-2-methylphenyl)benzamide?
The InChIKey is QRCQNTKRWBSXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-10-7-13(16)5-6-14(10)18-15(19)12-4-2-3-11(8-12)9-17/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of 3-(aminomethyl)-N-(4-chloro-2-methylphenyl)benzamide?
3-(aminomethyl)-N-(4-chloro-2-methylphenyl)benzamide has a molecular weight of 274.75 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(4-chloro-2-methylphenyl)benzamide is sourced from PubChem (CID 82546496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).