4-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide

C15H15ClN2O — CID 28748811

IUPAC4-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide
SMILESCc1cccc(CNC(=O)c2ccc(N)cc2Cl)c1
InChIInChI=1S/C15H15ClN2O/c1-10-3-2-4-11(7-10)9-18-15(19)13-6-5-12(17)8-14(13)16/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyCKDNGBNGVAJJOC-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.16
Rot. Bonds3

About 4-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide

4-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide (PubChem CID 28748811) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 4-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide
PubChem CID28748811
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name4-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide
SMILESCc1cccc(CNC(=O)c2ccc(N)cc2Cl)c1
InChIInChI=1S/C15H15ClN2O/c1-10-3-2-4-11(7-10)9-18-15(19)13-6-5-12(17)8-14(13)16/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyCKDNGBNGVAJJOC-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 99835975
N-[(3-aminophenyl)methyl]-2,4-dichlorobenzamide
CID 62499455
3-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide
CID 112575105
5-amino-2-methoxy-N-[(3-methylphenyl)methyl]benzamide
CID 61103300
4-amino-3,5-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 82793892
2,6-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 159197280
2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide
CID 114343999
4-amino-2-chloro-N-ethylbenzamide;hydrochloride
CID 47000809
3,4-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 38295590
N-[(3-aminophenyl)methyl]-4-chloro-2,5-difluorobenzamide
CID 82783098
4-amino-2-chloro-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 110473992
N-[(2-aminophenyl)methyl]-2-chloro-4-methylbenzamide
CID 106860403

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide?
The IUPAC name of 4-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide (CID 28748811) is 4-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide.
What is the SMILES notation for 4-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide?
The canonical SMILES for 4-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide is Cc1cccc(CNC(=O)c2ccc(N)cc2Cl)c1.
What is the InChIKey of 4-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide?
The InChIKey is CKDNGBNGVAJJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-10-3-2-4-11(7-10)9-18-15(19)13-6-5-12(17)8-14(13)16/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide?
4-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide has a molecular weight of 274.75 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide is sourced from PubChem (CID 28748811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).