N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanopentanamide

C13H14BrFN2O — CID 107592367

IUPACN-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanopentanamide
SMILESCCCC(C#N)C(=O)Nc1cc(Br)c(F)cc1C
InChIInChI=1S/C13H14BrFN2O/c1-3-4-9(7-16)13(18)17-12-6-10(14)11(15)5-8(12)2/h5-6,9H,3-4H2,1-2H3,(H,17,18)
InChIKeyNVUAGMZKPLOQRN-UHFFFAOYSA-N
MW313.17 g/mol
LogP3.78
Rot. Bonds4

About N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanopentanamide

N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanopentanamide (PubChem CID 107592367) has the molecular formula C13H14BrFN2O and a molecular weight of 313.17 g/mol. Its IUPAC name is N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanopentanamide.

Molecular Properties

Compound NameN-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanopentanamide
PubChem CID107592367
Molecular FormulaC13H14BrFN2O
Molecular Weight313.17 g/mol
Exact Mass312.03
IUPAC NameN-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanopentanamide
SMILESCCCC(C#N)C(=O)Nc1cc(Br)c(F)cc1C
InChIInChI=1S/C13H14BrFN2O/c1-3-4-9(7-16)13(18)17-12-6-10(14)11(15)5-8(12)2/h5-6,9H,3-4H2,1-2H3,(H,17,18)
InChIKeyNVUAGMZKPLOQRN-UHFFFAOYSA-N
XLogP3.78
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.17
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanopentanamide 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-methylphenyl)-2-cyanopentanamide
CID 82757658
N-(2-bromo-4-chlorophenyl)-2-cyanopentanamide
CID 81271570
(2R)-2-[(5-bromo-4-fluoro-2-methylphenyl)carbamoylamino]pentanoic acid
CID 107593172
1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylurea
CID 103274772
N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanoacetamide
CID 103280880
N-(4-bromo-2-ethylphenyl)-2-cyanopentanamide
CID 81292095
2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propanamide
CID 107592265
(2S)-2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propanamide
CID 107592355
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-3-methylbutanamide
CID 107591742
2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-2-(4-methylphenyl)acetamide
CID 106312877
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide
CID 107591747
N-(5-bromo-4-fluoro-2-methylphenyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide
CID 103280876

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanopentanamide?
The IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanopentanamide (CID 107592367) is N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanopentanamide.
What is the SMILES notation for N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanopentanamide?
The canonical SMILES for N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanopentanamide is CCCC(C#N)C(=O)Nc1cc(Br)c(F)cc1C.
What is the InChIKey of N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanopentanamide?
The InChIKey is NVUAGMZKPLOQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2O/c1-3-4-9(7-16)13(18)17-12-6-10(14)11(15)5-8(12)2/h5-6,9H,3-4H2,1-2H3,(H,17,18).
What are the key properties of N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanopentanamide?
N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanopentanamide has a molecular weight of 313.17 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanopentanamide is sourced from PubChem (CID 107592367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).