3-cyano-N-(2,4-dichlorophenyl)-N-methylpropanamide

C11H10Cl2N2O — CID 115173703

IUPAC3-cyano-N-(2,4-dichlorophenyl)-N-methylpropanamide
SMILESCN(C(=O)CCC#N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2N2O/c1-15(11(16)3-2-6-14)10-5-4-8(12)7-9(10)13/h4-5,7H,2-3H2,1H3
InChIKeyISYJOMATYOBZOB-UHFFFAOYSA-N
MW257.12 g/mol
LogP3.26
Rot. Bonds3

About 3-cyano-N-(2,4-dichlorophenyl)-N-methylpropanamide

3-cyano-N-(2,4-dichlorophenyl)-N-methylpropanamide (PubChem CID 115173703) has the molecular formula C11H10Cl2N2O and a molecular weight of 257.12 g/mol. Its IUPAC name is 3-cyano-N-(2,4-dichlorophenyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-cyano-N-(2,4-dichlorophenyl)-N-methylpropanamide
PubChem CID115173703
Molecular FormulaC11H10Cl2N2O
Molecular Weight257.12 g/mol
Exact Mass256.02
IUPAC Name3-cyano-N-(2,4-dichlorophenyl)-N-methylpropanamide
SMILESCN(C(=O)CCC#N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2N2O/c1-15(11(16)3-2-6-14)10-5-4-8(12)7-9(10)13/h4-5,7H,2-3H2,1H3
InChIKeyISYJOMATYOBZOB-UHFFFAOYSA-N
XLogP3.26
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(2,4-dichlorophenyl)-N-methylpropanamide
CID 28795222
3-cyano-N-[(2,4-dichlorophenyl)methyl]-N-methylpropanamide
CID 94697067
N-(4-tert-butyl-2-methylphenyl)-3-cyano-N-methylpropanamide
CID 115173683
N-(2-chloro-4-cyanophenyl)-N-methylpropanamide
CID 44597129
4-(2,4-dichlorophenyl)-4-oxobutanenitrile
CID 43608235
2-(2,4-dichloro-N-methylanilino)acetonitrile
CID 82113638
N-(5-tert-butyl-2-methylphenyl)-3-cyano-N-methylpropanamide
CID 115173625
3-cyano-N-(3-fluorophenyl)-N-methylpropanamide
CID 115173707
N-(2-cyanoethyl)-3-(2,5-dichlorophenyl)sulfanyl-N-methylpropanamide
CID 43289949
N-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-methylacetamide
CID 43213478
N-(1-benzofuran-3-yl)-3-cyano-N-methylpropanamide
CID 115173717
3-cyano-N-(4-ethylsulfanylphenyl)-N-methylpropanamide
CID 115173680

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2,4-dichlorophenyl)-N-methylpropanamide?
The IUPAC name of 3-cyano-N-(2,4-dichlorophenyl)-N-methylpropanamide (CID 115173703) is 3-cyano-N-(2,4-dichlorophenyl)-N-methylpropanamide.
What is the SMILES notation for 3-cyano-N-(2,4-dichlorophenyl)-N-methylpropanamide?
The canonical SMILES for 3-cyano-N-(2,4-dichlorophenyl)-N-methylpropanamide is CN(C(=O)CCC#N)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-cyano-N-(2,4-dichlorophenyl)-N-methylpropanamide?
The InChIKey is ISYJOMATYOBZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O/c1-15(11(16)3-2-6-14)10-5-4-8(12)7-9(10)13/h4-5,7H,2-3H2,1H3.
What are the key properties of 3-cyano-N-(2,4-dichlorophenyl)-N-methylpropanamide?
3-cyano-N-(2,4-dichlorophenyl)-N-methylpropanamide has a molecular weight of 257.12 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2,4-dichlorophenyl)-N-methylpropanamide is sourced from PubChem (CID 115173703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).