N-(4-bromo-3,5-dimethylphenyl)-2,5-dimethylbenzamide

C17H18BrNO — CID 107574857

IUPACN-(4-bromo-3,5-dimethylphenyl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2cc(C)c(Br)c(C)c2)c1
InChIInChI=1S/C17H18BrNO/c1-10-5-6-11(2)15(7-10)17(20)19-14-8-12(3)16(18)13(4)9-14/h5-9H,1-4H3,(H,19,20)
InChIKeyCTCIQNRFDKGIGP-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.94
Rot. Bonds2

About N-(4-bromo-3,5-dimethylphenyl)-2,5-dimethylbenzamide

N-(4-bromo-3,5-dimethylphenyl)-2,5-dimethylbenzamide (PubChem CID 107574857) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is N-(4-bromo-3,5-dimethylphenyl)-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(4-bromo-3,5-dimethylphenyl)-2,5-dimethylbenzamide
PubChem CID107574857
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC NameN-(4-bromo-3,5-dimethylphenyl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2cc(C)c(Br)c(C)c2)c1
InChIInChI=1S/C17H18BrNO/c1-10-5-6-11(2)15(7-10)17(20)19-14-8-12(3)16(18)13(4)9-14/h5-9H,1-4H3,(H,19,20)
InChIKeyCTCIQNRFDKGIGP-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-(4-bromo-3,5-dimethylphenyl)-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

2,5-dimethyl-N-(3-methylphenyl)benzamide
CID 925357
5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid
CID 63653663
N-[4-(cyclopropanecarbonylamino)phenyl]-2,5-dimethylbenzamide
CID 17444073
3-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-methylbenzamide
CID 107575045
N-(3,5-dimethylphenyl)-2,4-dimethylbenzamide
CID 925377
N-[4-(1-hydroxyethyl)phenyl]-2,5-dimethylbenzamide
CID 43416665
2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 7777818
N-(3-carbamoylphenyl)-2,5-dimethylbenzamide
CID 17394434
N-(3-bromo-2-methylphenyl)-2,5-dimethylbenzamide
CID 113230260
2,5-dimethyl-N-(2-methylphenyl)benzamide
CID 925354
N-(3-bromo-5-methylphenyl)-2-fluoro-4-methylbenzamide
CID 107582986
N-(2-chlorophenyl)-2,5-dimethylbenzamide
CID 925340

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-2,5-dimethylbenzamide?
The IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-2,5-dimethylbenzamide (CID 107574857) is N-(4-bromo-3,5-dimethylphenyl)-2,5-dimethylbenzamide.
What is the SMILES notation for N-(4-bromo-3,5-dimethylphenyl)-2,5-dimethylbenzamide?
The canonical SMILES for N-(4-bromo-3,5-dimethylphenyl)-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)Nc2cc(C)c(Br)c(C)c2)c1.
What is the InChIKey of N-(4-bromo-3,5-dimethylphenyl)-2,5-dimethylbenzamide?
The InChIKey is CTCIQNRFDKGIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-10-5-6-11(2)15(7-10)17(20)19-14-8-12(3)16(18)13(4)9-14/h5-9H,1-4H3,(H,19,20).
What are the key properties of N-(4-bromo-3,5-dimethylphenyl)-2,5-dimethylbenzamide?
N-(4-bromo-3,5-dimethylphenyl)-2,5-dimethylbenzamide 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-(4-bromo-3,5-dimethylphenyl)-2,5-dimethylbenzamide is sourced from PubChem (CID 107574857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).