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

C15H15ClN2O — CID 112575105

IUPAC3-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide
SMILESCc1cccc(CNC(=O)c2cccc(N)c2Cl)c1
InChIInChI=1S/C15H15ClN2O/c1-10-4-2-5-11(8-10)9-18-15(19)12-6-3-7-13(17)14(12)16/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyGKANLHIVASXRMT-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.16
Rot. Bonds3

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

3-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide (PubChem CID 112575105) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 3-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide
PubChem CID112575105
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name3-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide
SMILESCc1cccc(CNC(=O)c2cccc(N)c2Cl)c1
InChIInChI=1S/C15H15ClN2O/c1-10-4-2-5-11(8-10)9-18-15(19)12-6-3-7-13(17)14(12)16/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyGKANLHIVASXRMT-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

3-amino-2-chloro-N-[(4-fluoro-3,5-dimethylphenyl)methyl]benzamide
CID 115930610
4-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide
CID 28748811
3-amino-2-chloro-N-[(3,4-difluorophenyl)methyl]benzamide
CID 115930472
2-chloro-4-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 99835975
2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide
CID 114343999
4-amino-3,5-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 82793892
2-fluoro-3-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 80718612
2,6-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 159197280
2-bromo-5-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 80979004
N-[(3-methylphenyl)methyl]-2-methylsulfonylbenzamide
CID 34166968
4-amino-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 61104453
(3-methylphenyl)methylurea
CID 60776531

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide?
The IUPAC name of 3-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide (CID 112575105) is 3-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide?
The canonical SMILES for 3-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide is Cc1cccc(CNC(=O)c2cccc(N)c2Cl)c1.
What is the InChIKey of 3-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide?
The InChIKey is GKANLHIVASXRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-10-4-2-5-11(8-10)9-18-15(19)12-6-3-7-13(17)14(12)16/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide?
3-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 3-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide is sourced from PubChem (CID 112575105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).