N-(1-cyanocyclopropyl)-4-(3-fluorophenyl)-3-methylbutanamide

C15H17FN2O — CID 71984204

IUPACN-(1-cyanocyclopropyl)-4-(3-fluorophenyl)-3-methylbutanamide
SMILESCC(CC(=O)NC1(C#N)CC1)Cc1cccc(F)c1
InChIInChI=1S/C15H17FN2O/c1-11(7-12-3-2-4-13(16)9-12)8-14(19)18-15(10-17)5-6-15/h2-4,9,11H,5-8H2,1H3,(H,18,19)
InChIKeyYPBPAMSAAFYVBT-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.57
Rot. Bonds5

About N-(1-cyanocyclopropyl)-4-(3-fluorophenyl)-3-methylbutanamide

N-(1-cyanocyclopropyl)-4-(3-fluorophenyl)-3-methylbutanamide (PubChem CID 71984204) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is N-(1-cyanocyclopropyl)-4-(3-fluorophenyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(1-cyanocyclopropyl)-4-(3-fluorophenyl)-3-methylbutanamide
PubChem CID71984204
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC NameN-(1-cyanocyclopropyl)-4-(3-fluorophenyl)-3-methylbutanamide
SMILESCC(CC(=O)NC1(C#N)CC1)Cc1cccc(F)c1
InChIInChI=1S/C15H17FN2O/c1-11(7-12-3-2-4-13(16)9-12)8-14(19)18-15(10-17)5-6-15/h2-4,9,11H,5-8H2,1H3,(H,18,19)
InChIKeyYPBPAMSAAFYVBT-UHFFFAOYSA-N
XLogP2.57
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-cyanocyclopropyl)-4-(3-fluorophenyl)-3-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

(3R)-N-[(3R)-3-cyanothiolan-3-yl]-4-(3-fluorophenyl)-3-methylbutanamide
CID 95906114
1-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
CID 119350665
3-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]butanoic acid
CID 119347966
N-(3-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methylbutanamide
CID 119997569
N-(3-aminobutyl)-4-(3-fluorophenyl)-3-methylbutanamide
CID 119499131
N-(1-amino-2-methylpropan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119524696
N-(3-aminopropyl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119408534
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119608606
4-(3-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-3-methylbutanamide
CID 111542772
N-[2-(aminomethyl)cyclopentyl]-4-(3-fluorophenyl)-3-methylbutanamide
CID 119604718
N-(cyanomethyl)-3-(3-fluorophenyl)-2-methylpropanamide
CID 122156072
(2S)-N-(cyanomethyl)-3-(3-fluorophenyl)-2-methylpropanamide
CID 124628719

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopropyl)-4-(3-fluorophenyl)-3-methylbutanamide?
The IUPAC name of N-(1-cyanocyclopropyl)-4-(3-fluorophenyl)-3-methylbutanamide (CID 71984204) is N-(1-cyanocyclopropyl)-4-(3-fluorophenyl)-3-methylbutanamide.
What is the SMILES notation for N-(1-cyanocyclopropyl)-4-(3-fluorophenyl)-3-methylbutanamide?
The canonical SMILES for N-(1-cyanocyclopropyl)-4-(3-fluorophenyl)-3-methylbutanamide is CC(CC(=O)NC1(C#N)CC1)Cc1cccc(F)c1.
What is the InChIKey of N-(1-cyanocyclopropyl)-4-(3-fluorophenyl)-3-methylbutanamide?
The InChIKey is YPBPAMSAAFYVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-11(7-12-3-2-4-13(16)9-12)8-14(19)18-15(10-17)5-6-15/h2-4,9,11H,5-8H2,1H3,(H,18,19).
What are the key properties of N-(1-cyanocyclopropyl)-4-(3-fluorophenyl)-3-methylbutanamide?
N-(1-cyanocyclopropyl)-4-(3-fluorophenyl)-3-methylbutanamide has a molecular weight of 260.31 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopropyl)-4-(3-fluorophenyl)-3-methylbutanamide is sourced from PubChem (CID 71984204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).