N-(4-bromo-2-methylphenyl)-3,4-dimethylbenzamide

C16H16BrNO — CID 789005

IUPACN-(4-bromo-2-methylphenyl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Br)cc2C)cc1C
InChIInChI=1S/C16H16BrNO/c1-10-4-5-13(8-11(10)2)16(19)18-15-7-6-14(17)9-12(15)3/h4-9H,1-3H3,(H,18,19)
InChIKeyRPRFZXTVEBYOQY-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.63
Rot. Bonds2

About N-(4-bromo-2-methylphenyl)-3,4-dimethylbenzamide

N-(4-bromo-2-methylphenyl)-3,4-dimethylbenzamide (PubChem CID 789005) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-3,4-dimethylbenzamide
PubChem CID789005
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC NameN-(4-bromo-2-methylphenyl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Br)cc2C)cc1C
InChIInChI=1S/C16H16BrNO/c1-10-4-5-13(8-11(10)2)16(19)18-15-7-6-14(17)9-12(15)3/h4-9H,1-3H3,(H,18,19)
InChIKeyRPRFZXTVEBYOQY-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)-3,4-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
3-bromo-N-(4-bromo-2-methylphenyl)-5-methylbenzamide
CID 104851628
4-bromo-N-(4-iodo-2-methylphenyl)benzamide
CID 1379401
6-amino-N-(4-bromo-2-methylphenyl)pyridine-3-carboxamide
CID 62151975
4-N-(4-bromo-2-methylphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043990
N-(4-bromo-2-methylphenyl)-4-(2,2-dimethylpropanoylamino)benzamide
CID 1370379
N-(4-bromo-2-methylphenyl)-3-fluoro-4-nitrobenzamide
CID 62681982
N-(4-bromo-2-methylphenyl)-2,4-dimethylbenzamide
CID 953255
N-(5-bromo-2-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 43806148
3-amino-N-(2,4-dibromophenyl)-4-methylbenzamide
CID 43702662
N-(4-bromo-2-methylphenyl)-3-cyanobenzamide
CID 18777750
N-(4-bromo-2-methylphenyl)quinoline-6-carboxamide
CID 62044989

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-3,4-dimethylbenzamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-3,4-dimethylbenzamide (CID 789005) is N-(4-bromo-2-methylphenyl)-3,4-dimethylbenzamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-3,4-dimethylbenzamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-3,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2ccc(Br)cc2C)cc1C.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-3,4-dimethylbenzamide?
The InChIKey is RPRFZXTVEBYOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-10-4-5-13(8-11(10)2)16(19)18-15-7-6-14(17)9-12(15)3/h4-9H,1-3H3,(H,18,19).
What are the key properties of N-(4-bromo-2-methylphenyl)-3,4-dimethylbenzamide?
N-(4-bromo-2-methylphenyl)-3,4-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)-3,4-dimethylbenzamide is sourced from PubChem (CID 789005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).