2-(4-chlorophenyl)-N-[(1S)-1-cyano-3-methylbutyl]acetamide

C14H17ClN2O — CID 94694538

IUPAC2-(4-chlorophenyl)-N-[(1S)-1-cyano-3-methylbutyl]acetamide
SMILESCC(C)C[C@@H](C#N)NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O/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-/m0/s1
InChIKeyZKIMDOXAXAWZPS-ZDUSSCGKSA-N
MW264.76 g/mol
LogP2.94
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[(1S)-1-cyano-3-methylbutyl]acetamide

2-(4-chlorophenyl)-N-[(1S)-1-cyano-3-methylbutyl]acetamide (PubChem CID 94694538) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(1S)-1-cyano-3-methylbutyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(1S)-1-cyano-3-methylbutyl]acetamide
PubChem CID94694538
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name2-(4-chlorophenyl)-N-[(1S)-1-cyano-3-methylbutyl]acetamide
SMILESCC(C)C[C@@H](C#N)NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O/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-/m0/s1
InChIKeyZKIMDOXAXAWZPS-ZDUSSCGKSA-N
XLogP2.94
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-cyano-3-methylbutyl]-2-(4-fluorophenyl)acetamide
CID 94689384
N-(1-cyano-3-methylbutyl)-2-(4-methoxyphenyl)acetamide
CID 112511596
2-(4-chlorophenyl)-N-(1-cyanopropan-2-yl)acetamide
CID 55209733
2-(4-chlorophenyl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 28567050
N-(1-cyano-3-methylbutyl)-3-phenylpropanamide
CID 112511365
2-(4-chlorophenyl)-N-[cyano(cyclopropyl)methyl]acetamide
CID 63822496
2-(4-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751569
N-[(1R)-1-cyano-3-methylbutyl]-4-methylpentanamide
CID 95302946
2-(4-aminophenyl)-N-[1-(4-chlorophenyl)-3-methylbutyl]acetamide
CID 119799878
2-(4-chlorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]acetamide
CID 42561774
2-(4-chlorophenyl)-N-(cyanomethyl)acetamide
CID 4630629
N-[(2S)-1-aminopropan-2-yl]-2-(4-chlorophenyl)acetamide;hydrochloride
CID 120509175

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(1S)-1-cyano-3-methylbutyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(1S)-1-cyano-3-methylbutyl]acetamide (CID 94694538) is 2-(4-chlorophenyl)-N-[(1S)-1-cyano-3-methylbutyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(1S)-1-cyano-3-methylbutyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(1S)-1-cyano-3-methylbutyl]acetamide is CC(C)C[C@@H](C#N)NC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(1S)-1-cyano-3-methylbutyl]acetamide?
The InChIKey is ZKIMDOXAXAWZPS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17ClN2O/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-/m0/s1.
What are the key properties of 2-(4-chlorophenyl)-N-[(1S)-1-cyano-3-methylbutyl]acetamide?
2-(4-chlorophenyl)-N-[(1S)-1-cyano-3-methylbutyl]acetamide has a molecular weight of 264.76 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(1S)-1-cyano-3-methylbutyl]acetamide is sourced from PubChem (CID 94694538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).