N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzamide

C16H16ClNO — CID 2549224

IUPACN-(2-chloro-4-methylphenyl)-2,5-dimethylbenzamide
SMILESCc1ccc(NC(=O)c2cc(C)ccc2C)c(Cl)c1
InChIInChI=1S/C16H16ClNO/c1-10-4-6-12(3)13(8-10)16(19)18-15-7-5-11(2)9-14(15)17/h4-9H,1-3H3,(H,18,19)
InChIKeyCYVBEQONUDSUSK-UHFFFAOYSA-N
MW273.76 g/mol
LogP4.52
Rot. Bonds2

About N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzamide

N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzamide (PubChem CID 2549224) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2,5-dimethylbenzamide
PubChem CID2549224
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC NameN-(2-chloro-4-methylphenyl)-2,5-dimethylbenzamide
SMILESCc1ccc(NC(=O)c2cc(C)ccc2C)c(Cl)c1
InChIInChI=1S/C16H16ClNO/c1-10-4-6-12(3)13(8-10)16(19)18-15-7-5-11(2)9-14(15)17/h4-9H,1-3H3,(H,18,19)
InChIKeyCYVBEQONUDSUSK-UHFFFAOYSA-N
XLogP4.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-chloro-4-methylphenyl)-2-methylbenzamide
CID 2540447
N-(2-chlorophenyl)-2,5-dimethylbenzamide
CID 925340
N-(2-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 2557643
2-amino-5-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 28967454
N-(2-chloro-4-methylphenyl)-2-iodobenzamide
CID 8886012
4-bromo-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 47299820
4-amino-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 28967456
2,3-dichloro-N-(2-chloro-4-methylphenyl)benzamide
CID 7926718
5-bromo-N-(2-chloro-4-hydroxyphenyl)-2-methylbenzamide
CID 65307125
2-amino-N-(4-bromo-2-chlorophenyl)-5-methylbenzamide
CID 62509847
N-(2-amino-5-chlorophenyl)-2,5-dimethylbenzamide
CID 18072338
N-(2-chloro-4-iodophenyl)-2,4-dimethylbenzamide
CID 1287536

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzamide (CID 2549224) is N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzamide is Cc1ccc(NC(=O)c2cc(C)ccc2C)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzamide?
The InChIKey is CYVBEQONUDSUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-10-4-6-12(3)13(8-10)16(19)18-15-7-5-11(2)9-14(15)17/h4-9H,1-3H3,(H,18,19).
What are the key properties of N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzamide?
N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzamide has a molecular weight of 273.76 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzamide is sourced from PubChem (CID 2549224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).