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

C16H16ClNO — CID 2557643

IUPACN-(2-chloro-4-methylphenyl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(C)cc2Cl)c(C)c1
InChIInChI=1S/C16H16ClNO/c1-10-4-6-13(12(3)8-10)16(19)18-15-7-5-11(2)9-14(15)17/h4-9H,1-3H3,(H,18,19)
InChIKeyRHRHXPHCVYUPEL-UHFFFAOYSA-N
MW273.76 g/mol
LogP4.52
Rot. Bonds2

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

N-(2-chloro-4-methylphenyl)-2,4-dimethylbenzamide (PubChem CID 2557643) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2,4-dimethylbenzamide
PubChem CID2557643
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC NameN-(2-chloro-4-methylphenyl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(C)cc2Cl)c(C)c1
InChIInChI=1S/C16H16ClNO/c1-10-4-6-13(12(3)8-10)16(19)18-15-7-5-11(2)9-14(15)17/h4-9H,1-3H3,(H,18,19)
InChIKeyRHRHXPHCVYUPEL-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

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Related Compounds

N-(2-chloro-4-iodophenyl)-2,4-dimethylbenzamide
CID 1287536
N-(2-chloro-4-methylphenyl)-2-methylbenzamide
CID 2540447
N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzamide
CID 2549224
4-bromo-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 47299820
4-amino-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 28967456
N-(4-chloro-2-iodophenyl)-2,4-dimethylbenzamide
CID 113257834
N-(4-bromo-2-methylphenyl)-2,4-dimethylbenzamide
CID 953255
N-(2-bromo-5-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 104724000
N-(2-bromo-4-chlorophenyl)-2,4-dimethylbenzamide
CID 81028266
N-(2-chloro-4-methylphenyl)-2-iodobenzamide
CID 8886012
N-(4-amino-2,6-dichlorophenyl)-2,4-dimethylbenzamide
CID 16772418
2,3-dichloro-N-(2-chloro-4-methylphenyl)benzamide
CID 7926718

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2,4-dimethylbenzamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2,4-dimethylbenzamide (CID 2557643) is N-(2-chloro-4-methylphenyl)-2,4-dimethylbenzamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2,4-dimethylbenzamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2ccc(C)cc2Cl)c(C)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2,4-dimethylbenzamide?
The InChIKey is RHRHXPHCVYUPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-10-4-6-13(12(3)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)-2,4-dimethylbenzamide?
N-(2-chloro-4-methylphenyl)-2,4-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)-2,4-dimethylbenzamide is sourced from PubChem (CID 2557643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).