N-[(1R)-1-cyano-3-methylbutyl]-2-(4-fluorophenyl)acetamide

C14H17FN2O — CID 94689384

IUPACN-[(1R)-1-cyano-3-methylbutyl]-2-(4-fluorophenyl)acetamide
SMILESCC(C)C[C@H](C#N)NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H17FN2O/c1-10(2)7-13(9-16)17-14(18)8-11-3-5-12(15)6-4-11/h3-6,10,13H,7-8H2,1-2H3,(H,17,18)/t13-/m1/s1
InChIKeyIKIIARBFNAFSGC-CYBMUJFWSA-N
MW248.30 g/mol
LogP2.42
Rot. Bonds5

About N-[(1R)-1-cyano-3-methylbutyl]-2-(4-fluorophenyl)acetamide

N-[(1R)-1-cyano-3-methylbutyl]-2-(4-fluorophenyl)acetamide (PubChem CID 94689384) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is N-[(1R)-1-cyano-3-methylbutyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-cyano-3-methylbutyl]-2-(4-fluorophenyl)acetamide
PubChem CID94689384
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC NameN-[(1R)-1-cyano-3-methylbutyl]-2-(4-fluorophenyl)acetamide
SMILESCC(C)C[C@H](C#N)NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H17FN2O/c1-10(2)7-13(9-16)17-14(18)8-11-3-5-12(15)6-4-11/h3-6,10,13H,7-8H2,1-2H3,(H,17,18)/t13-/m1/s1
InChIKeyIKIIARBFNAFSGC-CYBMUJFWSA-N
XLogP2.42
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-N-[(1S)-1-cyano-3-methylbutyl]acetamide
CID 94694538
N-(1-cyano-3-methylbutyl)-2-(4-methoxyphenyl)acetamide
CID 112511596
N-(1-bromo-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide
CID 113275009
N-(1-amino-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide
CID 63754538
2-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 92738396
N-(1-cyano-3-methylbutyl)-3-phenylpropanamide
CID 112511365
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
N-[(1R)-1-cyano-3-methylbutyl]-4-methylpentanamide
CID 95302946
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-(4-fluorophenyl)acetamide
CID 55033721
N-(1-cyanopropyl)-2-(3-fluorophenyl)acetamide
CID 61119665
2-(4-fluorophenyl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]acetamide
CID 110351359
N-[(2S)-1-aminopropan-2-yl]-2-(4-fluorophenyl)acetamide;hydrochloride
CID 120506260

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyano-3-methylbutyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[(1R)-1-cyano-3-methylbutyl]-2-(4-fluorophenyl)acetamide (CID 94689384) is N-[(1R)-1-cyano-3-methylbutyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[(1R)-1-cyano-3-methylbutyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[(1R)-1-cyano-3-methylbutyl]-2-(4-fluorophenyl)acetamide is CC(C)C[C@H](C#N)NC(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-cyano-3-methylbutyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is IKIIARBFNAFSGC-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-10(2)7-13(9-16)17-14(18)8-11-3-5-12(15)6-4-11/h3-6,10,13H,7-8H2,1-2H3,(H,17,18)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-cyano-3-methylbutyl]-2-(4-fluorophenyl)acetamide?
N-[(1R)-1-cyano-3-methylbutyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 248.30 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyano-3-methylbutyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 94689384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).