3-cyano-N-[(2,4-dichlorophenyl)methyl]-N-methylpropanamide

C12H12Cl2N2O — CID 94697067

IUPAC3-cyano-N-[(2,4-dichlorophenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1ccc(Cl)cc1Cl)C(=O)CCC#N
InChIInChI=1S/C12H12Cl2N2O/c1-16(12(17)3-2-6-15)8-9-4-5-10(13)7-11(9)14/h4-5,7H,2-3,8H2,1H3
InChIKeySBBJGGJSRQQSAB-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.26
Rot. Bonds4

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

3-cyano-N-[(2,4-dichlorophenyl)methyl]-N-methylpropanamide (PubChem CID 94697067) has the molecular formula C12H12Cl2N2O and a molecular weight of 271.15 g/mol. Its IUPAC name is 3-cyano-N-[(2,4-dichlorophenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-cyano-N-[(2,4-dichlorophenyl)methyl]-N-methylpropanamide
PubChem CID94697067
Molecular FormulaC12H12Cl2N2O
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name3-cyano-N-[(2,4-dichlorophenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1ccc(Cl)cc1Cl)C(=O)CCC#N
InChIInChI=1S/C12H12Cl2N2O/c1-16(12(17)3-2-6-15)8-9-4-5-10(13)7-11(9)14/h4-5,7H,2-3,8H2,1H3
InChIKeySBBJGGJSRQQSAB-UHFFFAOYSA-N
XLogP3.26
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyano-N-(2,4-dichlorophenyl)-N-methylpropanamide
CID 115173703
N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 19862165
N-[(4-cyanophenyl)methyl]-3-(2,4-dichlorophenyl)-N-methylpropanamide
CID 39862065
2-(4-aminophenyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 60939480
3-(2,4-dichlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]propanamide
CID 100607664
2-anilino-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 60683217
N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-(oxan-4-yloxy)propanamide
CID 75494892
3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 94685610
N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9091215
3-(aminomethyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylpentanamide
CID 81086606
N-[3-[(2,4-dichlorophenyl)methyl-methylamino]-3-oxopropyl]furan-2-carboxamide
CID 2525635
3-cyano-N-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 94688472

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(2,4-dichlorophenyl)methyl]-N-methylpropanamide?
The IUPAC name of 3-cyano-N-[(2,4-dichlorophenyl)methyl]-N-methylpropanamide (CID 94697067) is 3-cyano-N-[(2,4-dichlorophenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-cyano-N-[(2,4-dichlorophenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-cyano-N-[(2,4-dichlorophenyl)methyl]-N-methylpropanamide is CN(Cc1ccc(Cl)cc1Cl)C(=O)CCC#N.
What is the InChIKey of 3-cyano-N-[(2,4-dichlorophenyl)methyl]-N-methylpropanamide?
The InChIKey is SBBJGGJSRQQSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O/c1-16(12(17)3-2-6-15)8-9-4-5-10(13)7-11(9)14/h4-5,7H,2-3,8H2,1H3.
What are the key properties of 3-cyano-N-[(2,4-dichlorophenyl)methyl]-N-methylpropanamide?
3-cyano-N-[(2,4-dichlorophenyl)methyl]-N-methylpropanamide has a molecular weight of 271.15 g/mol, XLogP of 3.26, 4 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)methyl]-N-methylpropanamide is sourced from PubChem (CID 94697067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).