2-amino-N-[(4-chlorophenyl)methyl]benzamide

C14H13ClN2O — CID 7312564

IUPAC2-amino-N-[(4-chlorophenyl)methyl]benzamide
SMILESNc1ccccc1C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2O/c15-11-7-5-10(6-8-11)9-17-14(18)12-3-1-2-4-13(12)16/h1-8H,9,16H2,(H,17,18)
InChIKeyFXYBYVPJDQCGGA-UHFFFAOYSA-N
MW260.72 g/mol
LogP2.85
Rot. Bonds3

About 2-amino-N-[(4-chlorophenyl)methyl]benzamide

2-amino-N-[(4-chlorophenyl)methyl]benzamide (PubChem CID 7312564) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 2-amino-N-[(4-chlorophenyl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[(4-chlorophenyl)methyl]benzamide
PubChem CID7312564
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name2-amino-N-[(4-chlorophenyl)methyl]benzamide
SMILESNc1ccccc1C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2O/c15-11-7-5-10(6-8-11)9-17-14(18)12-3-1-2-4-13(12)16/h1-8H,9,16H2,(H,17,18)
InChIKeyFXYBYVPJDQCGGA-UHFFFAOYSA-N
XLogP2.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 52.85
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-amino-4-bromo-N-[(4-chlorophenyl)methyl]benzamide
CID 79714993
2-amino-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 60699275
2-amino-N-[(4-chlorophenyl)methyl]-5-fluorobenzamide
CID 43245704
2-amino-N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 62073957
N-[(4-aminophenyl)methyl]-2-chlorobenzamide
CID 39360992
N-[[4-(2-aminoethyl)phenyl]methyl]-2-chlorobenzamide
CID 62502652
2-amino-5-chloro-N-[(4-fluorophenyl)methyl]benzamide
CID 16792678
2-amino-4-chloro-N-[(4-ethylphenyl)methyl]benzamide
CID 106899083
2-(3-aminoprop-1-ynyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 60822506
3-amino-2-chloro-N-[(3,4-difluorophenyl)methyl]benzamide
CID 115930472
2-amino-N-[(4-chlorophenyl)methyl]-4-nitrobenzamide
CID 67362358
2-amino-N-[[4-(diethylaminosulfanyl)phenyl]methyl]benzamide
CID 174280143

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-chlorophenyl)methyl]benzamide?
The IUPAC name of 2-amino-N-[(4-chlorophenyl)methyl]benzamide (CID 7312564) is 2-amino-N-[(4-chlorophenyl)methyl]benzamide.
What is the SMILES notation for 2-amino-N-[(4-chlorophenyl)methyl]benzamide?
The canonical SMILES for 2-amino-N-[(4-chlorophenyl)methyl]benzamide is Nc1ccccc1C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 2-amino-N-[(4-chlorophenyl)methyl]benzamide?
The InChIKey is FXYBYVPJDQCGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c15-11-7-5-10(6-8-11)9-17-14(18)12-3-1-2-4-13(12)16/h1-8H,9,16H2,(H,17,18).
What are the key properties of 2-amino-N-[(4-chlorophenyl)methyl]benzamide?
2-amino-N-[(4-chlorophenyl)methyl]benzamide has a molecular weight of 260.72 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-chlorophenyl)methyl]benzamide is sourced from PubChem (CID 7312564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).