4-amino-N-(2-cyano-4-fluorophenyl)-4-methylpentanamide

C13H16FN3O — CID 82015813

IUPAC4-amino-N-(2-cyano-4-fluorophenyl)-4-methylpentanamide
SMILESCC(C)(N)CCC(=O)Nc1ccc(F)cc1C#N
InChIInChI=1S/C13H16FN3O/c1-13(2,16)6-5-12(18)17-11-4-3-10(14)7-9(11)8-15/h3-4,7H,5-6,16H2,1-2H3,(H,17,18)
InChIKeyQRUNOGOSOBMKOE-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.15
Rot. Bonds4

About 4-amino-N-(2-cyano-4-fluorophenyl)-4-methylpentanamide

4-amino-N-(2-cyano-4-fluorophenyl)-4-methylpentanamide (PubChem CID 82015813) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 4-amino-N-(2-cyano-4-fluorophenyl)-4-methylpentanamide.

Molecular Properties

Compound Name4-amino-N-(2-cyano-4-fluorophenyl)-4-methylpentanamide
PubChem CID82015813
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name4-amino-N-(2-cyano-4-fluorophenyl)-4-methylpentanamide
SMILESCC(C)(N)CCC(=O)Nc1ccc(F)cc1C#N
InChIInChI=1S/C13H16FN3O/c1-13(2,16)6-5-12(18)17-11-4-3-10(14)7-9(11)8-15/h3-4,7H,5-6,16H2,1-2H3,(H,17,18)
InChIKeyQRUNOGOSOBMKOE-UHFFFAOYSA-N
XLogP2.15
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-(2-cyano-4-fluorophenyl)-4-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-cyano-4-fluorophenyl)-3,3-dimethylbutanamide
CID 79953681
N-(2-cyano-4-fluorophenyl)-3-sulfanylpropanamide
CID 107033592
N-(2-cyano-4-fluorophenyl)propanamide
CID 79952819
ethyl 4-(2-cyano-4-fluoroanilino)-4-oxobutanoate
CID 79952676
N-(2-cyano-4-fluorophenyl)-5-hydroxypentanamide
CID 82684893
N-(2-cyano-4-fluorophenyl)-3-piperidin-4-ylpropanamide
CID 82016419
N-(2-cyano-4-fluorophenyl)-3-propoxypropanamide
CID 82015415
N-(2-cyano-4-fluorophenyl)-4-ethoxybutanamide
CID 79954693
N-(2-cyano-4-fluorophenyl)-4-phenylbutanamide
CID 79954684
N-(2-cyano-4-fluorophenyl)-2-(ethylamino)-2-methylpropanamide
CID 82016198
N-(2-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide
CID 79955008
2-(azetidin-3-yl)-N-(2-cyano-4-fluorophenyl)acetamide
CID 82015908

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyano-4-fluorophenyl)-4-methylpentanamide?
The IUPAC name of 4-amino-N-(2-cyano-4-fluorophenyl)-4-methylpentanamide (CID 82015813) is 4-amino-N-(2-cyano-4-fluorophenyl)-4-methylpentanamide.
What is the SMILES notation for 4-amino-N-(2-cyano-4-fluorophenyl)-4-methylpentanamide?
The canonical SMILES for 4-amino-N-(2-cyano-4-fluorophenyl)-4-methylpentanamide is CC(C)(N)CCC(=O)Nc1ccc(F)cc1C#N.
What is the InChIKey of 4-amino-N-(2-cyano-4-fluorophenyl)-4-methylpentanamide?
The InChIKey is QRUNOGOSOBMKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-13(2,16)6-5-12(18)17-11-4-3-10(14)7-9(11)8-15/h3-4,7H,5-6,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-N-(2-cyano-4-fluorophenyl)-4-methylpentanamide?
4-amino-N-(2-cyano-4-fluorophenyl)-4-methylpentanamide has a molecular weight of 249.29 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyano-4-fluorophenyl)-4-methylpentanamide is sourced from PubChem (CID 82015813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).