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

C13H16FN3O — CID 104685438

IUPAC5-amino-N-(4-cyano-2-fluorophenyl)-2-methylpentanamide
SMILESCC(CCCN)C(=O)Nc1ccc(C#N)cc1F
InChIInChI=1S/C13H16FN3O/c1-9(3-2-6-15)13(18)17-12-5-4-10(8-16)7-11(12)14/h4-5,7,9H,2-3,6,15H2,1H3,(H,17,18)
InChIKeyFBQIPPRMOQKWQC-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.01
Rot. Bonds5

About 5-amino-N-(4-cyano-2-fluorophenyl)-2-methylpentanamide

5-amino-N-(4-cyano-2-fluorophenyl)-2-methylpentanamide (PubChem CID 104685438) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 5-amino-N-(4-cyano-2-fluorophenyl)-2-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-(4-cyano-2-fluorophenyl)-2-methylpentanamide
PubChem CID104685438
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name5-amino-N-(4-cyano-2-fluorophenyl)-2-methylpentanamide
SMILESCC(CCCN)C(=O)Nc1ccc(C#N)cc1F
InChIInChI=1S/C13H16FN3O/c1-9(3-2-6-15)13(18)17-12-5-4-10(8-16)7-11(12)14/h4-5,7,9H,2-3,6,15H2,1H3,(H,17,18)
InChIKeyFBQIPPRMOQKWQC-UHFFFAOYSA-N
XLogP2.01
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-methyl-N-(2,4,5-trifluorophenyl)pentanamide
CID 104685005
4-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]-2-methylbutanamide
CID 80543421
5-amino-N-(3-cyano-4-fluorophenyl)-2-methylpentanamide
CID 113440983
N-(4-cyano-2-fluorophenyl)acetamide
CID 11344323
5-amino-N-(2-bromo-4-fluorophenyl)-2-methylpentanamide
CID 104683578
2-[(5-amino-2-methylpentanoyl)amino]-5-fluorobenzoic acid
CID 112547816
[(2S)-1-(4-cyano-2-fluoroanilino)-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 91510613
(2S)-2-amino-N-(4-cyano-2-fluorophenyl)-2-phenylacetamide
CID 104898247
5-amino-N-(2-fluoro-3-methylphenyl)-2-methylpentanamide
CID 114254673
5-amino-N-(4-hydroxy-2-methylphenyl)-2-methylpentanamide
CID 104685172
5-amino-N-(2,4-dibromophenyl)-2-methylpentanamide
CID 113440855
2-(4-cyano-2-fluoroanilino)propanamide
CID 43657192

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-cyano-2-fluorophenyl)-2-methylpentanamide?
The IUPAC name of 5-amino-N-(4-cyano-2-fluorophenyl)-2-methylpentanamide (CID 104685438) is 5-amino-N-(4-cyano-2-fluorophenyl)-2-methylpentanamide.
What is the SMILES notation for 5-amino-N-(4-cyano-2-fluorophenyl)-2-methylpentanamide?
The canonical SMILES for 5-amino-N-(4-cyano-2-fluorophenyl)-2-methylpentanamide is CC(CCCN)C(=O)Nc1ccc(C#N)cc1F.
What is the InChIKey of 5-amino-N-(4-cyano-2-fluorophenyl)-2-methylpentanamide?
The InChIKey is FBQIPPRMOQKWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-9(3-2-6-15)13(18)17-12-5-4-10(8-16)7-11(12)14/h4-5,7,9H,2-3,6,15H2,1H3,(H,17,18).
What are the key properties of 5-amino-N-(4-cyano-2-fluorophenyl)-2-methylpentanamide?
5-amino-N-(4-cyano-2-fluorophenyl)-2-methylpentanamide has a molecular weight of 249.29 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-cyano-2-fluorophenyl)-2-methylpentanamide is sourced from PubChem (CID 104685438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).