N-(2-bromo-5-methylphenyl)-2-methylpentanamide

C13H18BrNO — CID 82706265

IUPACN-(2-bromo-5-methylphenyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1cc(C)ccc1Br
InChIInChI=1S/C13H18BrNO/c1-4-5-10(3)13(16)15-12-8-9(2)6-7-11(12)14/h6-8,10H,4-5H2,1-3H3,(H,15,16)
InChIKeyJGWXUUCPAIHQMF-UHFFFAOYSA-N
MW284.20 g/mol
LogP4.13
Rot. Bonds4

About N-(2-bromo-5-methylphenyl)-2-methylpentanamide

N-(2-bromo-5-methylphenyl)-2-methylpentanamide (PubChem CID 82706265) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)-2-methylpentanamide.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)-2-methylpentanamide
PubChem CID82706265
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC NameN-(2-bromo-5-methylphenyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1cc(C)ccc1Br
InChIInChI=1S/C13H18BrNO/c1-4-5-10(3)13(16)15-12-8-9(2)6-7-11(12)14/h6-8,10H,4-5H2,1-3H3,(H,15,16)
InChIKeyJGWXUUCPAIHQMF-UHFFFAOYSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2-bromo-5-methylphenyl)-2-methylpentanamide 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

N-(2-bromo-5-chlorophenyl)-2-methylpentanamide
CID 81272725
N-(2-bromo-5-methylphenyl)-2-cyanopentanamide
CID 82757658
N-(2-bromo-5-methylphenyl)-2-carbamothioylpentanamide
CID 82757577
N-(2-chloro-4-methylphenyl)-2-methylpentanamide
CID 67710308
(2R)-2-amino-N-(2-bromo-5-methylphenyl)propanamide
CID 82757390
(2R)-N-(4-bromo-2-methylphenyl)-2-methylpentanamide
CID 884269
4-(2-bromo-5-methylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103499045
(2S)-2-[(2-bromo-5-methylphenyl)carbamoylamino]butanoic acid
CID 82766171
1-(2-bromo-5-methylphenyl)-3-propan-2-ylurea
CID 82706454
ethyl 2-[(2-bromo-5-methylphenyl)carbamoyl]-3,3-dimethylbutanoate
CID 116538239
N-(2-bromo-5-methylphenyl)-2-cyanopropanamide
CID 82757747
5-bromo-2-methyl-4-(2-methylpentanoylamino)benzenesulfonyl chloride
CID 82757618

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)-2-methylpentanamide?
The IUPAC name of N-(2-bromo-5-methylphenyl)-2-methylpentanamide (CID 82706265) is N-(2-bromo-5-methylphenyl)-2-methylpentanamide.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)-2-methylpentanamide?
The canonical SMILES for N-(2-bromo-5-methylphenyl)-2-methylpentanamide is CCCC(C)C(=O)Nc1cc(C)ccc1Br.
What is the InChIKey of N-(2-bromo-5-methylphenyl)-2-methylpentanamide?
The InChIKey is JGWXUUCPAIHQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-4-5-10(3)13(16)15-12-8-9(2)6-7-11(12)14/h6-8,10H,4-5H2,1-3H3,(H,15,16).
What are the key properties of N-(2-bromo-5-methylphenyl)-2-methylpentanamide?
N-(2-bromo-5-methylphenyl)-2-methylpentanamide has a molecular weight of 284.20 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methylphenyl)-2-methylpentanamide is sourced from PubChem (CID 82706265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).