2-chloro-N-(2-cyano-3-fluorophenyl)propanamide

C10H8ClFN2O — CID 43580716

IUPAC2-chloro-N-(2-cyano-3-fluorophenyl)propanamide
SMILESCC(Cl)C(=O)Nc1cccc(F)c1C#N
InChIInChI=1S/C10H8ClFN2O/c1-6(11)10(15)14-9-4-2-3-8(12)7(9)5-13/h2-4,6H,1H3,(H,14,15)
InChIKeyVEJVUEZXGXMVOD-UHFFFAOYSA-N
MW226.64 g/mol
LogP2.26
Rot. Bonds2

About 2-chloro-N-(2-cyano-3-fluorophenyl)propanamide

2-chloro-N-(2-cyano-3-fluorophenyl)propanamide (PubChem CID 43580716) has the molecular formula C10H8ClFN2O and a molecular weight of 226.64 g/mol. Its IUPAC name is 2-chloro-N-(2-cyano-3-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyano-3-fluorophenyl)propanamide
PubChem CID43580716
Molecular FormulaC10H8ClFN2O
Molecular Weight226.64 g/mol
Exact Mass226.03
IUPAC Name2-chloro-N-(2-cyano-3-fluorophenyl)propanamide
SMILESCC(Cl)C(=O)Nc1cccc(F)c1C#N
InChIInChI=1S/C10H8ClFN2O/c1-6(11)10(15)14-9-4-2-3-8(12)7(9)5-13/h2-4,6H,1H3,(H,14,15)
InChIKeyVEJVUEZXGXMVOD-UHFFFAOYSA-N
XLogP2.26
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.64
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyano-3-fluorophenyl)-2-methylsulfonylpropanamide
CID 113234246
2-amino-N-(2-cyano-3-fluorophenyl)-4-methylpentanamide
CID 43580760
1-(2-chlorophenyl)-3-(2-cyano-3-fluorophenyl)urea
CID 43580526
2-amino-N-(2-cyano-3-fluorophenyl)-3-methoxypropanamide
CID 81081464
N-(2-cyano-3-fluorophenyl)propanamide
CID 43580352
2-chloro-N-(2-cyano-3-fluorophenyl)acetamide
CID 2781266
2-(aminomethyl)-N-(2-cyano-3-fluorophenyl)-4,4-dimethylpentanamide
CID 107471228
3-chloro-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580715
2-chloro-N-[(2-cyano-3-fluorophenyl)carbamoyl]acetamide
CID 43580813
2-[(2-cyano-3-fluorophenyl)carbamoyl-methylamino]propanoic acid
CID 62639026
(2S)-2-amino-N-(2-cyano-3-fluorophenyl)-4-methylsulfanylbutanamide
CID 61154404
4-[(2-cyano-3-fluorophenyl)carbamoylamino]-2-methylbutanoic acid
CID 80540878

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyano-3-fluorophenyl)propanamide?
The IUPAC name of 2-chloro-N-(2-cyano-3-fluorophenyl)propanamide (CID 43580716) is 2-chloro-N-(2-cyano-3-fluorophenyl)propanamide.
What is the SMILES notation for 2-chloro-N-(2-cyano-3-fluorophenyl)propanamide?
The canonical SMILES for 2-chloro-N-(2-cyano-3-fluorophenyl)propanamide is CC(Cl)C(=O)Nc1cccc(F)c1C#N.
What is the InChIKey of 2-chloro-N-(2-cyano-3-fluorophenyl)propanamide?
The InChIKey is VEJVUEZXGXMVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O/c1-6(11)10(15)14-9-4-2-3-8(12)7(9)5-13/h2-4,6H,1H3,(H,14,15).
What are the key properties of 2-chloro-N-(2-cyano-3-fluorophenyl)propanamide?
2-chloro-N-(2-cyano-3-fluorophenyl)propanamide has a molecular weight of 226.64 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-cyano-3-fluorophenyl)propanamide is sourced from PubChem (CID 43580716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).