2-cyano-N-(2,3-dichloro-4-fluorophenyl)acetamide

C9H5Cl2FN2O — CID 168520371

IUPAC2-cyano-N-(2,3-dichloro-4-fluorophenyl)acetamide
SMILESN#CCC(=O)Nc1ccc(F)c(Cl)c1Cl
InChIInChI=1S/C9H5Cl2FN2O/c10-8-5(12)1-2-6(9(8)11)14-7(15)3-4-13/h1-2H,3H2,(H,14,15)
InChIKeyWPKDKUGPIKFNPI-UHFFFAOYSA-N
MW247.06 g/mol
LogP2.98
Rot. Bonds2

About 2-cyano-N-(2,3-dichloro-4-fluorophenyl)acetamide

2-cyano-N-(2,3-dichloro-4-fluorophenyl)acetamide (PubChem CID 168520371) has the molecular formula C9H5Cl2FN2O and a molecular weight of 247.06 g/mol. Its IUPAC name is 2-cyano-N-(2,3-dichloro-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(2,3-dichloro-4-fluorophenyl)acetamide
PubChem CID168520371
Molecular FormulaC9H5Cl2FN2O
Molecular Weight247.06 g/mol
Exact Mass245.98
IUPAC Name2-cyano-N-(2,3-dichloro-4-fluorophenyl)acetamide
SMILESN#CCC(=O)Nc1ccc(F)c(Cl)c1Cl
InChIInChI=1S/C9H5Cl2FN2O/c10-8-5(12)1-2-6(9(8)11)14-7(15)3-4-13/h1-2H,3H2,(H,14,15)
InChIKeyWPKDKUGPIKFNPI-UHFFFAOYSA-N
XLogP2.98
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.06
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-fluorophenyl)-2-cyanoacetamide
CID 43438521
2-cyano-N-(2,4-dichlorophenyl)acetamide
CID 693146
N-(2-bromo-4-fluoro-3-methylphenyl)-2-cyanoacetamide
CID 168522520
4-[(2-cyanoacetyl)amino]-3-fluorobenzoic acid
CID 168520110
N-(2-bromo-5-chlorophenyl)-2-cyanoacetamide
CID 81270486
methyl 2-chloro-4-[(2-cyanoacetyl)amino]-3-iodobenzoate
CID 168523190
N-(4-chloro-5-fluoro-2-hydroxyphenyl)-2-cyanoacetamide
CID 168522906
2-cyano-N-[4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]acetamide
CID 168523936
N-(4-bromo-2-chlorophenyl)-2-cyanoacetamide
CID 43347407
N-(2-bromo-3,5-dichloro-4-fluorophenyl)-2-cyanoacetamide
CID 168522300
2-cyano-N-(2,6-difluorophenyl)acetamide
CID 13174846
N-[3-bromo-2-(difluoromethoxy)-4-fluorophenyl]-2-cyanoacetamide
CID 168521148

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,3-dichloro-4-fluorophenyl)acetamide?
The IUPAC name of 2-cyano-N-(2,3-dichloro-4-fluorophenyl)acetamide (CID 168520371) is 2-cyano-N-(2,3-dichloro-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-cyano-N-(2,3-dichloro-4-fluorophenyl)acetamide?
The canonical SMILES for 2-cyano-N-(2,3-dichloro-4-fluorophenyl)acetamide is N#CCC(=O)Nc1ccc(F)c(Cl)c1Cl.
What is the InChIKey of 2-cyano-N-(2,3-dichloro-4-fluorophenyl)acetamide?
The InChIKey is WPKDKUGPIKFNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2FN2O/c10-8-5(12)1-2-6(9(8)11)14-7(15)3-4-13/h1-2H,3H2,(H,14,15).
What are the key properties of 2-cyano-N-(2,3-dichloro-4-fluorophenyl)acetamide?
2-cyano-N-(2,3-dichloro-4-fluorophenyl)acetamide has a molecular weight of 247.06 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,3-dichloro-4-fluorophenyl)acetamide is sourced from PubChem (CID 168520371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).