N-(3-bromo-5-methylphenyl)-2,4,6-trimethylbenzamide

C17H18BrNO — CID 84542762

IUPACN-(3-bromo-5-methylphenyl)-2,4,6-trimethylbenzamide
SMILESCc1cc(Br)cc(NC(=O)c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C17H18BrNO/c1-10-5-12(3)16(13(4)6-10)17(20)19-15-8-11(2)7-14(18)9-15/h5-9H,1-4H3,(H,19,20)
InChIKeyHMZVIQSCJRCEHR-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.94
Rot. Bonds2

About N-(3-bromo-5-methylphenyl)-2,4,6-trimethylbenzamide

N-(3-bromo-5-methylphenyl)-2,4,6-trimethylbenzamide (PubChem CID 84542762) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-2,4,6-trimethylbenzamide
PubChem CID84542762
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC NameN-(3-bromo-5-methylphenyl)-2,4,6-trimethylbenzamide
SMILESCc1cc(Br)cc(NC(=O)c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C17H18BrNO/c1-10-5-12(3)16(13(4)6-10)17(20)19-15-8-11(2)7-14(18)9-15/h5-9H,1-4H3,(H,19,20)
InChIKeyHMZVIQSCJRCEHR-UHFFFAOYSA-N
XLogP4.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(3-bromo-5-methylphenyl)-2,4,6-trimethylbenzamide 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-(3-bromo-5-methylphenyl)-3-methylbenzamide
CID 107583817
5-amino-N-(3-bromo-5-methylphenyl)-2,4-dimethylbenzamide
CID 107581692
N-(3-bromo-5-methylphenyl)-3-methylthiophene-2-carboxamide
CID 104938713
1-(3-bromo-5-methylphenyl)-3-methylurea
CID 104938547
3-bromo-N-(3-bromo-5-methylphenyl)benzamide
CID 107583869
N-(3-bromo-5-methylphenyl)-4-tert-butylbenzamide
CID 84512530
N-(3-bromo-5-methylphenyl)-3-chloro-4-methylbenzamide
CID 107583928
4-amino-N-(3-bromo-5-methylphenyl)-2-methylbenzamide
CID 107578505
3-(3-bromo-5-methylphenyl)-1,1-dimethylurea
CID 110604759
N-(3-bromo-5-methylphenyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 103526991
N-(3-bromo-5-methylphenyl)-2-iodo-3-methylbenzamide
CID 114030738
N-(3-bromo-5-methylphenyl)-3,5-dimethoxybenzamide
CID 110604740

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-2,4,6-trimethylbenzamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)-2,4,6-trimethylbenzamide (CID 84542762) is N-(3-bromo-5-methylphenyl)-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-2,4,6-trimethylbenzamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-2,4,6-trimethylbenzamide is Cc1cc(Br)cc(NC(=O)c2c(C)cc(C)cc2C)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-2,4,6-trimethylbenzamide?
The InChIKey is HMZVIQSCJRCEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-10-5-12(3)16(13(4)6-10)17(20)19-15-8-11(2)7-14(18)9-15/h5-9H,1-4H3,(H,19,20).
What are the key properties of N-(3-bromo-5-methylphenyl)-2,4,6-trimethylbenzamide?
N-(3-bromo-5-methylphenyl)-2,4,6-trimethylbenzamide has a molecular weight of 332.24 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-2,4,6-trimethylbenzamide is sourced from PubChem (CID 84542762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).