2-cyano-N-(2,4-dichlorophenyl)acetamide

C9H6Cl2N2O — CID 693146

IUPAC2-cyano-N-(2,4-dichlorophenyl)acetamide
SMILESN#CCC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H6Cl2N2O/c10-6-1-2-8(7(11)5-6)13-9(14)3-4-12/h1-2,5H,3H2,(H,13,14)
InChIKeyXSNWFABKENMBQB-UHFFFAOYSA-N
MW229.07 g/mol
LogP2.85
Rot. Bonds2

About 2-cyano-N-(2,4-dichlorophenyl)acetamide

2-cyano-N-(2,4-dichlorophenyl)acetamide (PubChem CID 693146) has the molecular formula C9H6Cl2N2O and a molecular weight of 229.07 g/mol. Its IUPAC name is 2-cyano-N-(2,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(2,4-dichlorophenyl)acetamide
PubChem CID693146
Molecular FormulaC9H6Cl2N2O
Molecular Weight229.07 g/mol
Exact Mass227.99
IUPAC Name2-cyano-N-(2,4-dichlorophenyl)acetamide
SMILESN#CCC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H6Cl2N2O/c10-6-1-2-8(7(11)5-6)13-9(14)3-4-12/h1-2,5H,3H2,(H,13,14)
InChIKeyXSNWFABKENMBQB-UHFFFAOYSA-N
XLogP2.85
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-chlorophenyl)-2-cyanoacetamide
CID 43347407
N-(5-chloro-2-fluorophenyl)-2-cyanoacetamide
CID 43438521
N-(2-bromo-5-chlorophenyl)-2-cyanoacetamide
CID 81270486
methyl 3-chloro-4-[(2-cyanoacetyl)amino]benzoate
CID 83311952
2-(cyanomethylsulfonyl)-N-(2,4-dichlorophenyl)acetamide
CID 96694943
2-cyano-N-(2,3-dichloro-4-fluorophenyl)acetamide
CID 168520371
N-(2,4-dichlorophenyl)propanamide
CID 923083
N-(4-chloro-5-fluoro-2-hydroxyphenyl)-2-cyanoacetamide
CID 168522906
2-(2,4-dichloroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 54811499
N-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955063
N-(2,4-dichlorophenyl)-2-methoxyacetamide
CID 885676
N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955225

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,4-dichlorophenyl)acetamide?
The IUPAC name of 2-cyano-N-(2,4-dichlorophenyl)acetamide (CID 693146) is 2-cyano-N-(2,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-cyano-N-(2,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-cyano-N-(2,4-dichlorophenyl)acetamide is N#CCC(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-cyano-N-(2,4-dichlorophenyl)acetamide?
The InChIKey is XSNWFABKENMBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2O/c10-6-1-2-8(7(11)5-6)13-9(14)3-4-12/h1-2,5H,3H2,(H,13,14).
What are the key properties of 2-cyano-N-(2,4-dichlorophenyl)acetamide?
2-cyano-N-(2,4-dichlorophenyl)acetamide has a molecular weight of 229.07 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,4-dichlorophenyl)acetamide is sourced from PubChem (CID 693146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).