2-cyano-N-(3,5-dichlorophenyl)-2-methylbutanamide

C12H12Cl2N2O — CID 13475373

IUPAC2-cyano-N-(3,5-dichlorophenyl)-2-methylbutanamide
SMILESCCC(C)(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H12Cl2N2O/c1-3-12(2,7-15)11(17)16-10-5-8(13)4-9(14)6-10/h4-6H,3H2,1-2H3,(H,16,17)
InChIKeyZVQFJRYQKGIIBW-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.87
Rot. Bonds3

About 2-cyano-N-(3,5-dichlorophenyl)-2-methylbutanamide

2-cyano-N-(3,5-dichlorophenyl)-2-methylbutanamide (PubChem CID 13475373) has the molecular formula C12H12Cl2N2O and a molecular weight of 271.15 g/mol. Its IUPAC name is 2-cyano-N-(3,5-dichlorophenyl)-2-methylbutanamide.

Molecular Properties

Compound Name2-cyano-N-(3,5-dichlorophenyl)-2-methylbutanamide
PubChem CID13475373
Molecular FormulaC12H12Cl2N2O
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name2-cyano-N-(3,5-dichlorophenyl)-2-methylbutanamide
SMILESCCC(C)(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H12Cl2N2O/c1-3-12(2,7-15)11(17)16-10-5-8(13)4-9(14)6-10/h4-6H,3H2,1-2H3,(H,16,17)
InChIKeyZVQFJRYQKGIIBW-UHFFFAOYSA-N
XLogP3.87
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-chloro-5-(trifluoromethyl)phenyl]-2-cyano-2-methylbutanamide
CID 116699929
2-cyano-2-methyl-N-pyridin-4-ylbutanamide
CID 114291006
2-cyano-N-(3,4-dicyanophenyl)-2-methylbutanamide
CID 107790753
N-(3-bromo-4-methylphenyl)-2-cyano-2-methylbutanamide
CID 114291509
2-cyano-2-methyl-N-pyrimidin-2-ylbutanamide
CID 114291024
N-(4-bromo-2,6-dimethylphenyl)-2-cyano-2-methylbutanamide
CID 113270169
2-cyano-N-(2,6-dichloro-3-methylphenyl)-2-methylbutanamide
CID 114290912
2-cyano-2-methyl-N-(4-methyl-3-nitrophenyl)butanamide
CID 114291021
2-cyano-N-(2,4-difluorophenyl)-2-methylbutanamide
CID 113270152
2-cyano-N-(2,6-difluoro-3-methylphenyl)-2-methylbutanamide
CID 82818028
2,2,2-trichloro-N-(3,5-dichlorophenyl)acetamide
CID 4278652
(2R)-2-amino-3-(4-cyanophenyl)-N-(3,5-dichlorophenyl)-2-methylpropanamide
CID 59923584

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3,5-dichlorophenyl)-2-methylbutanamide?
The IUPAC name of 2-cyano-N-(3,5-dichlorophenyl)-2-methylbutanamide (CID 13475373) is 2-cyano-N-(3,5-dichlorophenyl)-2-methylbutanamide.
What is the SMILES notation for 2-cyano-N-(3,5-dichlorophenyl)-2-methylbutanamide?
The canonical SMILES for 2-cyano-N-(3,5-dichlorophenyl)-2-methylbutanamide is CCC(C)(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-cyano-N-(3,5-dichlorophenyl)-2-methylbutanamide?
The InChIKey is ZVQFJRYQKGIIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O/c1-3-12(2,7-15)11(17)16-10-5-8(13)4-9(14)6-10/h4-6H,3H2,1-2H3,(H,16,17).
What are the key properties of 2-cyano-N-(3,5-dichlorophenyl)-2-methylbutanamide?
2-cyano-N-(3,5-dichlorophenyl)-2-methylbutanamide has a molecular weight of 271.15 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3,5-dichlorophenyl)-2-methylbutanamide is sourced from PubChem (CID 13475373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).