2-cyano-N-(2,6-dichloro-3-methylphenyl)-2-methylbutanamide

C13H14Cl2N2O — CID 114290912

IUPAC2-cyano-N-(2,6-dichloro-3-methylphenyl)-2-methylbutanamide
SMILESCCC(C)(C#N)C(=O)Nc1c(Cl)ccc(C)c1Cl
InChIInChI=1S/C13H14Cl2N2O/c1-4-13(3,7-16)12(18)17-11-9(14)6-5-8(2)10(11)15/h5-6H,4H2,1-3H3,(H,17,18)
InChIKeySTWAZMIGDZYDKT-UHFFFAOYSA-N
MW285.17 g/mol
LogP4.18
Rot. Bonds3

About 2-cyano-N-(2,6-dichloro-3-methylphenyl)-2-methylbutanamide

2-cyano-N-(2,6-dichloro-3-methylphenyl)-2-methylbutanamide (PubChem CID 114290912) has the molecular formula C13H14Cl2N2O and a molecular weight of 285.17 g/mol. Its IUPAC name is 2-cyano-N-(2,6-dichloro-3-methylphenyl)-2-methylbutanamide.

Molecular Properties

Compound Name2-cyano-N-(2,6-dichloro-3-methylphenyl)-2-methylbutanamide
PubChem CID114290912
Molecular FormulaC13H14Cl2N2O
Molecular Weight285.17 g/mol
Exact Mass284.05
IUPAC Name2-cyano-N-(2,6-dichloro-3-methylphenyl)-2-methylbutanamide
SMILESCCC(C)(C#N)C(=O)Nc1c(Cl)ccc(C)c1Cl
InChIInChI=1S/C13H14Cl2N2O/c1-4-13(3,7-16)12(18)17-11-9(14)6-5-8(2)10(11)15/h5-6H,4H2,1-3H3,(H,17,18)
InChIKeySTWAZMIGDZYDKT-UHFFFAOYSA-N
XLogP4.18
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2,6-dichloro-3-methylphenyl)-2-ethylbutanamide
CID 79809129
2-cyano-N-(2,6-difluoro-3-methylphenyl)-2-methylbutanamide
CID 82818028
N-(4-bromo-2,6-dimethylphenyl)-2-cyano-2-methylbutanamide
CID 113270169
N-(2,6-dichloro-3-methylphenyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76919299
N-(3-bromo-4-methylphenyl)-2-cyano-2-methylbutanamide
CID 114291509
2-(tert-butylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 27149947
2-cyano-N-(3,5-dichlorophenyl)-2-methylbutanamide
CID 13475373
2-cyano-2-methyl-N-pyridin-4-ylbutanamide
CID 114291006
N-(2-chloro-6-methylphenyl)-2-cyano-2-ethylbutanamide
CID 66254759
2-cyano-2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide
CID 114291644
3-(2,6-dichloro-3-methylanilino)-3-oxopropanoic acid
CID 62231070
2-[[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263564

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,6-dichloro-3-methylphenyl)-2-methylbutanamide?
The IUPAC name of 2-cyano-N-(2,6-dichloro-3-methylphenyl)-2-methylbutanamide (CID 114290912) is 2-cyano-N-(2,6-dichloro-3-methylphenyl)-2-methylbutanamide.
What is the SMILES notation for 2-cyano-N-(2,6-dichloro-3-methylphenyl)-2-methylbutanamide?
The canonical SMILES for 2-cyano-N-(2,6-dichloro-3-methylphenyl)-2-methylbutanamide is CCC(C)(C#N)C(=O)Nc1c(Cl)ccc(C)c1Cl.
What is the InChIKey of 2-cyano-N-(2,6-dichloro-3-methylphenyl)-2-methylbutanamide?
The InChIKey is STWAZMIGDZYDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O/c1-4-13(3,7-16)12(18)17-11-9(14)6-5-8(2)10(11)15/h5-6H,4H2,1-3H3,(H,17,18).
What are the key properties of 2-cyano-N-(2,6-dichloro-3-methylphenyl)-2-methylbutanamide?
2-cyano-N-(2,6-dichloro-3-methylphenyl)-2-methylbutanamide has a molecular weight of 285.17 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,6-dichloro-3-methylphenyl)-2-methylbutanamide is sourced from PubChem (CID 114290912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).