2-cyano-N-(2,6-dichlorophenyl)-2-methylpropanamide

C11H10Cl2N2O — CID 55208118

IUPAC2-cyano-N-(2,6-dichlorophenyl)-2-methylpropanamide
SMILESCC(C)(C#N)C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C11H10Cl2N2O/c1-11(2,6-14)10(16)15-9-7(12)4-3-5-8(9)13/h3-5H,1-2H3,(H,15,16)
InChIKeyBTUJPZWBSKINSC-UHFFFAOYSA-N
MW257.12 g/mol
LogP3.48
Rot. Bonds2

About 2-cyano-N-(2,6-dichlorophenyl)-2-methylpropanamide

2-cyano-N-(2,6-dichlorophenyl)-2-methylpropanamide (PubChem CID 55208118) has the molecular formula C11H10Cl2N2O and a molecular weight of 257.12 g/mol. Its IUPAC name is 2-cyano-N-(2,6-dichlorophenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-cyano-N-(2,6-dichlorophenyl)-2-methylpropanamide
PubChem CID55208118
Molecular FormulaC11H10Cl2N2O
Molecular Weight257.12 g/mol
Exact Mass256.02
IUPAC Name2-cyano-N-(2,6-dichlorophenyl)-2-methylpropanamide
SMILESCC(C)(C#N)C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C11H10Cl2N2O/c1-11(2,6-14)10(16)15-9-7(12)4-3-5-8(9)13/h3-5H,1-2H3,(H,15,16)
InChIKeyBTUJPZWBSKINSC-UHFFFAOYSA-N
XLogP3.48
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyano-N-(2,6-dichlorophenyl)-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-chlorophenyl)-2-hydroxypropyl]-2-cyano-2-methylpropanamide
CID 86793674
N-(2-chloro-6-methylphenyl)-2-cyano-2-ethylbutanamide
CID 66254759
(2S)-N-(2,6-dichlorophenyl)-2,3,3,3-tetrafluoro-2-methoxypropanamide
CID 7111788
N-(4-bromo-3-chlorophenyl)-2-cyano-2-methylpropanamide
CID 103824740
2-cyano-2-methyl-N-(2-methylphenyl)propanamide
CID 60778630
2-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpropanamide
CID 61266948
3-amino-N-(2,6-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 77069753
3-[2-chloro-6-(trifluoromethyl)anilino]-2,2-dimethyl-3-oxopropanoic acid
CID 82813361
N-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287271
N-(2-bromo-4-chlorophenyl)-2-cyano-2-methylpropanamide
CID 81028368
2-cyano-N-(4-fluorophenyl)-2-methylpropanamide
CID 60778732
2-cyano-2-methyl-N-pyridin-2-ylpropanamide
CID 60778942

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,6-dichlorophenyl)-2-methylpropanamide?
The IUPAC name of 2-cyano-N-(2,6-dichlorophenyl)-2-methylpropanamide (CID 55208118) is 2-cyano-N-(2,6-dichlorophenyl)-2-methylpropanamide.
What is the SMILES notation for 2-cyano-N-(2,6-dichlorophenyl)-2-methylpropanamide?
The canonical SMILES for 2-cyano-N-(2,6-dichlorophenyl)-2-methylpropanamide is CC(C)(C#N)C(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-cyano-N-(2,6-dichlorophenyl)-2-methylpropanamide?
The InChIKey is BTUJPZWBSKINSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O/c1-11(2,6-14)10(16)15-9-7(12)4-3-5-8(9)13/h3-5H,1-2H3,(H,15,16).
What are the key properties of 2-cyano-N-(2,6-dichlorophenyl)-2-methylpropanamide?
2-cyano-N-(2,6-dichlorophenyl)-2-methylpropanamide has a molecular weight of 257.12 g/mol, XLogP of 3.48, 2 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-dichlorophenyl)-2-methylpropanamide is sourced from PubChem (CID 55208118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).