N-(3-bromo-4-methylphenyl)-2-cyano-2-methylbutanamide

C13H15BrN2O — CID 114291509

IUPACN-(3-bromo-4-methylphenyl)-2-cyano-2-methylbutanamide
SMILESCCC(C)(C#N)C(=O)Nc1ccc(C)c(Br)c1
InChIInChI=1S/C13H15BrN2O/c1-4-13(3,8-15)12(17)16-10-6-5-9(2)11(14)7-10/h5-7H,4H2,1-3H3,(H,16,17)
InChIKeyGEVXMMHGLFJYSD-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.64
Rot. Bonds3

About N-(3-bromo-4-methylphenyl)-2-cyano-2-methylbutanamide

N-(3-bromo-4-methylphenyl)-2-cyano-2-methylbutanamide (PubChem CID 114291509) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-2-cyano-2-methylbutanamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-2-cyano-2-methylbutanamide
PubChem CID114291509
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC NameN-(3-bromo-4-methylphenyl)-2-cyano-2-methylbutanamide
SMILESCCC(C)(C#N)C(=O)Nc1ccc(C)c(Br)c1
InChIInChI=1S/C13H15BrN2O/c1-4-13(3,8-15)12(17)16-10-6-5-9(2)11(14)7-10/h5-7H,4H2,1-3H3,(H,16,17)
InChIKeyGEVXMMHGLFJYSD-UHFFFAOYSA-N
XLogP3.64
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-bromo-4-methylphenyl)-2-cyano-2-methylbutanamide 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-cyano-2-methyl-N-(4-methyl-3-nitrophenyl)butanamide
CID 114291021
2-amino-N-(3-bromo-4-methylphenyl)-2-methylbutanamide
CID 79810570
2-cyano-N-(3,4-dicyanophenyl)-2-methylbutanamide
CID 107790753
N-(4-bromo-2,6-dimethylphenyl)-2-cyano-2-methylbutanamide
CID 113270169
2-cyano-2-methyl-N-pyridin-4-ylbutanamide
CID 114291006
2-(aminomethyl)-N-(3-bromo-4-methylphenyl)-2-ethylbutanamide
CID 113308965
2-cyano-N-(2,5-dibromophenyl)-2-methylbutanamide
CID 114291248
2-cyano-N-(3,5-dichlorophenyl)-2-methylbutanamide
CID 13475373
2-cyano-N-(2,6-difluoro-3-methylphenyl)-2-methylbutanamide
CID 82818028
2-cyano-2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide
CID 114291644
2-cyano-N-(2,6-dichloro-3-methylphenyl)-2-methylbutanamide
CID 114290912
2-cyano-2-ethyl-N-(3-iodo-4-methylphenyl)butanamide
CID 114257386

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-2-cyano-2-methylbutanamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-2-cyano-2-methylbutanamide (CID 114291509) is N-(3-bromo-4-methylphenyl)-2-cyano-2-methylbutanamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-2-cyano-2-methylbutanamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-2-cyano-2-methylbutanamide is CCC(C)(C#N)C(=O)Nc1ccc(C)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-2-cyano-2-methylbutanamide?
The InChIKey is GEVXMMHGLFJYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-4-13(3,8-15)12(17)16-10-6-5-9(2)11(14)7-10/h5-7H,4H2,1-3H3,(H,16,17).
What are the key properties of N-(3-bromo-4-methylphenyl)-2-cyano-2-methylbutanamide?
N-(3-bromo-4-methylphenyl)-2-cyano-2-methylbutanamide has a molecular weight of 295.18 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-2-cyano-2-methylbutanamide is sourced from PubChem (CID 114291509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).