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

C16H16BrNO — CID 953255

IUPACN-(4-bromo-2-methylphenyl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Br)cc2C)c(C)c1
InChIInChI=1S/C16H16BrNO/c1-10-4-6-14(11(2)8-10)16(19)18-15-7-5-13(17)9-12(15)3/h4-9H,1-3H3,(H,18,19)
InChIKeyFXICMXMMABTHLQ-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.63
Rot. Bonds2

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

N-(4-bromo-2-methylphenyl)-2,4-dimethylbenzamide (PubChem CID 953255) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2,4-dimethylbenzamide
PubChem CID953255
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC NameN-(4-bromo-2-methylphenyl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Br)cc2C)c(C)c1
InChIInChI=1S/C16H16BrNO/c1-10-4-6-14(11(2)8-10)16(19)18-15-7-5-13(17)9-12(15)3/h4-9H,1-3H3,(H,18,19)
InChIKeyFXICMXMMABTHLQ-UHFFFAOYSA-N
XLogP4.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(4-bromo-2-methylphenyl)-2,4-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

4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
N-(4-bromo-2-methylphenyl)-5-methyl-2-(methylamino)benzamide
CID 62509130
N-(2-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 2557643
N-(4-amino-2,5-dimethylphenyl)-4-bromo-2-methylbenzamide
CID 103144641
5-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzamide
CID 3480420
N-(2-bromo-4-chlorophenyl)-2,4-dimethylbenzamide
CID 81028266
N-[(4-bromo-2-iodophenyl)carbamothioyl]-2,4-dimethylbenzamide
CID 4063907
4-bromo-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 47299820
2-[(4-bromo-2-methylbenzoyl)amino]-5-iodobenzoic acid
CID 63405749
4-bromo-N-(2-chloro-4-iodophenyl)-2-methylbenzamide
CID 107606789
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
N-(4-bromo-2-methylphenyl)-3,4-dimethylbenzamide
CID 789005

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2,4-dimethylbenzamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2,4-dimethylbenzamide (CID 953255) is N-(4-bromo-2-methylphenyl)-2,4-dimethylbenzamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2,4-dimethylbenzamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2ccc(Br)cc2C)c(C)c1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2,4-dimethylbenzamide?
The InChIKey is FXICMXMMABTHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-10-4-6-14(11(2)8-10)16(19)18-15-7-5-13(17)9-12(15)3/h4-9H,1-3H3,(H,18,19).
What are the key properties of N-(4-bromo-2-methylphenyl)-2,4-dimethylbenzamide?
N-(4-bromo-2-methylphenyl)-2,4-dimethylbenzamide has a molecular weight of 318.21 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2,4-dimethylbenzamide is sourced from PubChem (CID 953255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).