N-(3-chloro-4-methylphenyl)-2-methylbenzamide

C15H14ClNO — CID 576980

IUPACN-(3-chloro-4-methylphenyl)-2-methylbenzamide
SMILESCc1ccc(NC(=O)c2ccccc2C)cc1Cl
InChIInChI=1S/C15H14ClNO/c1-10-5-3-4-6-13(10)15(18)17-12-8-7-11(2)14(16)9-12/h3-9H,1-2H3,(H,17,18)
InChIKeyGNAOONKVAMYHPJ-UHFFFAOYSA-N
MW259.74 g/mol
LogP4.21
Rot. Bonds2

About N-(3-chloro-4-methylphenyl)-2-methylbenzamide

N-(3-chloro-4-methylphenyl)-2-methylbenzamide (PubChem CID 576980) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-methylbenzamide
PubChem CID576980
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC NameN-(3-chloro-4-methylphenyl)-2-methylbenzamide
SMILESCc1ccc(NC(=O)c2ccccc2C)cc1Cl
InChIInChI=1S/C15H14ClNO/c1-10-5-3-4-6-13(10)15(18)17-12-8-7-11(2)14(16)9-12/h3-9H,1-2H3,(H,17,18)
InChIKeyGNAOONKVAMYHPJ-UHFFFAOYSA-N
XLogP4.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-methylbenzamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-methylbenzamide (CID 576980) is N-(3-chloro-4-methylphenyl)-2-methylbenzamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-methylbenzamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-methylbenzamide is Cc1ccc(NC(=O)c2ccccc2C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-methylbenzamide?
The InChIKey is GNAOONKVAMYHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO/c1-10-5-3-4-6-13(10)15(18)17-12-8-7-11(2)14(16)9-12/h3-9H,1-2H3,(H,17,18).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-methylbenzamide?
N-(3-chloro-4-methylphenyl)-2-methylbenzamide has a molecular weight of 259.74 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-methylbenzamide is sourced from PubChem (CID 576980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).