2-(4-chlorophenyl)-N-(2-cyano-3,3-dimethylbutan-2-yl)acetamide

C15H19ClN2O — CID 15457246

IUPAC2-(4-chlorophenyl)-N-(2-cyano-3,3-dimethylbutan-2-yl)acetamide
SMILESCC(C)(C)C(C)(C#N)NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O/c1-14(2,3)15(4,10-17)18-13(19)9-11-5-7-12(16)8-6-11/h5-8H,9H2,1-4H3,(H,18,19)
InChIKeyOFLDHJXYCCGPAM-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.33
Rot. Bonds3

About 2-(4-chlorophenyl)-N-(2-cyano-3,3-dimethylbutan-2-yl)acetamide

2-(4-chlorophenyl)-N-(2-cyano-3,3-dimethylbutan-2-yl)acetamide (PubChem CID 15457246) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2-cyano-3,3-dimethylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2-cyano-3,3-dimethylbutan-2-yl)acetamide
PubChem CID15457246
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name2-(4-chlorophenyl)-N-(2-cyano-3,3-dimethylbutan-2-yl)acetamide
SMILESCC(C)(C)C(C)(C#N)NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O/c1-14(2,3)15(4,10-17)18-13(19)9-11-5-7-12(16)8-6-11/h5-8H,9H2,1-4H3,(H,18,19)
InChIKeyOFLDHJXYCCGPAM-UHFFFAOYSA-N
XLogP3.33
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-[4-(4-chlorophenyl)phenyl]acetamide
CID 59659873
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-2-methylpentanoate
CID 43423685
2-(4-chlorophenyl)-N-(cyanomethyl)acetamide
CID 4630629
2-(4-chlorophenyl)-N-(3-hydroxy-2-methylbutan-2-yl)acetamide
CID 115884674
2-(4-chlorophenyl)-N-(3-methylpent-1-yn-3-yl)acetamide
CID 4303275
[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 8579100
2-(4-chlorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
CID 62520281
2-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110146
2-(4-chlorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]acetamide
CID 42561774
2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)propan-2-yl]acetamide
CID 113091682
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-chlorophenyl)acetamide
CID 81487152
2-(4-chlorophenyl)-N-(1-cyanopropan-2-yl)acetamide
CID 55209733

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2-cyano-3,3-dimethylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(2-cyano-3,3-dimethylbutan-2-yl)acetamide (CID 15457246) is 2-(4-chlorophenyl)-N-(2-cyano-3,3-dimethylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2-cyano-3,3-dimethylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2-cyano-3,3-dimethylbutan-2-yl)acetamide is CC(C)(C)C(C)(C#N)NC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2-cyano-3,3-dimethylbutan-2-yl)acetamide?
The InChIKey is OFLDHJXYCCGPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-14(2,3)15(4,10-17)18-13(19)9-11-5-7-12(16)8-6-11/h5-8H,9H2,1-4H3,(H,18,19).
What are the key properties of 2-(4-chlorophenyl)-N-(2-cyano-3,3-dimethylbutan-2-yl)acetamide?
2-(4-chlorophenyl)-N-(2-cyano-3,3-dimethylbutan-2-yl)acetamide has a molecular weight of 278.78 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(2-cyano-3,3-dimethylbutan-2-yl)acetamide is sourced from PubChem (CID 15457246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).