N-(3-chlorophenyl)-3-methylbenzamide

C14H12ClNO — CID 531963

IUPACN-(3-chlorophenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C14H12ClNO/c1-10-4-2-5-11(8-10)14(17)16-13-7-3-6-12(15)9-13/h2-9H,1H3,(H,16,17)
InChIKeyPXBPMCNEAZKAKS-UHFFFAOYSA-N
MW245.71 g/mol
LogP3.90
Rot. Bonds2

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

N-(3-chlorophenyl)-3-methylbenzamide (PubChem CID 531963) has the molecular formula C14H12ClNO and a molecular weight of 245.71 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-methylbenzamide
PubChem CID531963
Molecular FormulaC14H12ClNO
Molecular Weight245.71 g/mol
Exact Mass245.06
IUPAC NameN-(3-chlorophenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C14H12ClNO/c1-10-4-2-5-11(8-10)14(17)16-13-7-3-6-12(15)9-13/h2-9H,1H3,(H,16,17)
InChIKeyPXBPMCNEAZKAKS-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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-methylbenzamide?
The IUPAC name of N-(3-chlorophenyl)-3-methylbenzamide (CID 531963) is N-(3-chlorophenyl)-3-methylbenzamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-methylbenzamide?
The canonical SMILES for N-(3-chlorophenyl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-methylbenzamide?
The InChIKey is PXBPMCNEAZKAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO/c1-10-4-2-5-11(8-10)14(17)16-13-7-3-6-12(15)9-13/h2-9H,1H3,(H,16,17).
What are the key properties of N-(3-chlorophenyl)-3-methylbenzamide?
N-(3-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-(3-chlorophenyl)-3-methylbenzamide is sourced from PubChem (CID 531963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).