N-[(4-aminophenyl)methyl]-2-chlorobenzamide

C14H13ClN2O — CID 39360992

IUPACN-[(4-aminophenyl)methyl]-2-chlorobenzamide
SMILESNc1ccc(CNC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C14H13ClN2O/c15-13-4-2-1-3-12(13)14(18)17-9-10-5-7-11(16)8-6-10/h1-8H,9,16H2,(H,17,18)
InChIKeyKPJQULSHOPAFCR-UHFFFAOYSA-N
MW260.72 g/mol
LogP2.85
Rot. Bonds3

About N-[(4-aminophenyl)methyl]-2-chlorobenzamide

N-[(4-aminophenyl)methyl]-2-chlorobenzamide (PubChem CID 39360992) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-2-chlorobenzamide
PubChem CID39360992
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC NameN-[(4-aminophenyl)methyl]-2-chlorobenzamide
SMILESNc1ccc(CNC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C14H13ClN2O/c15-13-4-2-1-3-12(13)14(18)17-9-10-5-7-11(16)8-6-10/h1-8H,9,16H2,(H,17,18)
InChIKeyKPJQULSHOPAFCR-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-aminophenyl)methyl]-2,3-dichlorobenzamide
CID 60893162
N-[[4-(2-aminoethyl)phenyl]methyl]-2-chlorobenzamide
CID 62502652
N-[(4-aminophenyl)methyl]-3-chloro-2-methylbenzamide
CID 110484084
N-[(4-aminophenyl)methyl]-2-methylbenzamide
CID 60892796
2-amino-N-[(4-chlorophenyl)methyl]benzamide
CID 7312564
N-[(4-aminophenyl)methyl]-2-methylsulfanylbenzamide
CID 79214611
N-[(4-aminophenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 60891251
N-[(4-aminophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 81481324
2-chloro-N-[[4-(furan-3-yl)phenyl]methyl]benzamide
CID 119103308
N-[(4-aminophenyl)methyl]-2,6-difluorobenzamide
CID 60893159
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
N-[(4-aminophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 62830418

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-2-chlorobenzamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-2-chlorobenzamide (CID 39360992) is N-[(4-aminophenyl)methyl]-2-chlorobenzamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-2-chlorobenzamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-2-chlorobenzamide is Nc1ccc(CNC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-2-chlorobenzamide?
The InChIKey is KPJQULSHOPAFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c15-13-4-2-1-3-12(13)14(18)17-9-10-5-7-11(16)8-6-10/h1-8H,9,16H2,(H,17,18).
What are the key properties of N-[(4-aminophenyl)methyl]-2-chlorobenzamide?
N-[(4-aminophenyl)methyl]-2-chlorobenzamide 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 N-[(4-aminophenyl)methyl]-2-chlorobenzamide is sourced from PubChem (CID 39360992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).