3-(2-chlorophenyl)-3-cyano-N,N-dimethylpropanamide

C12H13ClN2O — CID 82129603

IUPAC3-(2-chlorophenyl)-3-cyano-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CC(C#N)c1ccccc1Cl
InChIInChI=1S/C12H13ClN2O/c1-15(2)12(16)7-9(8-14)10-5-3-4-6-11(10)13/h3-6,9H,7H2,1-2H3
InChIKeyCLSXVOWTNSTXQV-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.43
Rot. Bonds3

About 3-(2-chlorophenyl)-3-cyano-N,N-dimethylpropanamide

3-(2-chlorophenyl)-3-cyano-N,N-dimethylpropanamide (PubChem CID 82129603) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-3-cyano-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-3-cyano-N,N-dimethylpropanamide
PubChem CID82129603
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name3-(2-chlorophenyl)-3-cyano-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CC(C#N)c1ccccc1Cl
InChIInChI=1S/C12H13ClN2O/c1-15(2)12(16)7-9(8-14)10-5-3-4-6-11(10)13/h3-6,9H,7H2,1-2H3
InChIKeyCLSXVOWTNSTXQV-UHFFFAOYSA-N
XLogP2.43
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyano-N,N-dimethyl-3-(4-propan-2-ylphenyl)propanamide
CID 82130381
3-cyano-N,N-dimethyl-3-(4-methylphenyl)propanamide
CID 82127044
2-(2-chlorophenyl)-3-(4-methylphenyl)propanenitrile
CID 82088876
3-anilino-3-cyano-N,N-dimethylpropanamide
CID 66431052
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide
CID 60965369
[(S)-(2-chlorophenyl)-cyanomethyl] ethyl carbonate
CID 11658765
N-butyl-3-cyano-N-methyl-3-phenylpropanamide
CID 112511367
2-(2-chlorophenyl)-3-oxononanenitrile
CID 70593681
2-amino-2-(2-chlorophenyl)-N,N-dimethylacetamide
CID 83533893
4-(2-chlorophenyl)-4-cyano-N-prop-2-enylbutanamide
CID 112517061
ethyl 3-cyano-3-(2-methoxyphenyl)propanoate
CID 112508157
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-methyl-N-phenylacetamide
CID 60505511

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-3-cyano-N,N-dimethylpropanamide?
The IUPAC name of 3-(2-chlorophenyl)-3-cyano-N,N-dimethylpropanamide (CID 82129603) is 3-(2-chlorophenyl)-3-cyano-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-3-cyano-N,N-dimethylpropanamide?
The canonical SMILES for 3-(2-chlorophenyl)-3-cyano-N,N-dimethylpropanamide is CN(C)C(=O)CC(C#N)c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-3-cyano-N,N-dimethylpropanamide?
The InChIKey is CLSXVOWTNSTXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-15(2)12(16)7-9(8-14)10-5-3-4-6-11(10)13/h3-6,9H,7H2,1-2H3.
What are the key properties of 3-(2-chlorophenyl)-3-cyano-N,N-dimethylpropanamide?
3-(2-chlorophenyl)-3-cyano-N,N-dimethylpropanamide has a molecular weight of 236.70 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-3-cyano-N,N-dimethylpropanamide is sourced from PubChem (CID 82129603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).