N-(4-chlorophenyl)-3-methylbenzamide

C14H12ClNO — CID 763862

IUPACN-(4-chlorophenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H12ClNO/c1-10-3-2-4-11(9-10)14(17)16-13-7-5-12(15)6-8-13/h2-9H,1H3,(H,16,17)
InChIKeyDDOSHRIGQWXMMY-UHFFFAOYSA-N
MW245.71 g/mol
LogP3.90
Rot. Bonds2

About N-(4-chlorophenyl)-3-methylbenzamide

N-(4-chlorophenyl)-3-methylbenzamide (PubChem CID 763862) has the molecular formula C14H12ClNO and a molecular weight of 245.71 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-methylbenzamide
PubChem CID763862
Molecular FormulaC14H12ClNO
Molecular Weight245.71 g/mol
Exact Mass245.06
IUPAC NameN-(4-chlorophenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H12ClNO/c1-10-3-2-4-11(9-10)14(17)16-13-7-5-12(15)6-8-13/h2-9H,1H3,(H,16,17)
InChIKeyDDOSHRIGQWXMMY-UHFFFAOYSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(4-chlorophenyl)-3-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-methylbenzamide?
The IUPAC name of N-(4-chlorophenyl)-3-methylbenzamide (CID 763862) is N-(4-chlorophenyl)-3-methylbenzamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-methylbenzamide?
The canonical SMILES for N-(4-chlorophenyl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of N-(4-chlorophenyl)-3-methylbenzamide?
The InChIKey is DDOSHRIGQWXMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO/c1-10-3-2-4-11(9-10)14(17)16-13-7-5-12(15)6-8-13/h2-9H,1H3,(H,16,17).
What are the key properties of N-(4-chlorophenyl)-3-methylbenzamide?
N-(4-chlorophenyl)-3-methylbenzamide has a molecular weight of 245.71 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-methylbenzamide is sourced from PubChem (CID 763862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).