2-cyano-N-(2,4-difluorophenyl)propanamide

C10H8F2N2O — CID 55208250

IUPAC2-cyano-N-(2,4-difluorophenyl)propanamide
SMILESCC(C#N)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C10H8F2N2O/c1-6(5-13)10(15)14-9-3-2-7(11)4-8(9)12/h2-4,6H,1H3,(H,14,15)
InChIKeyRXYBGGZSUJKDCH-UHFFFAOYSA-N
MW210.18 g/mol
LogP2.06
Rot. Bonds2

About 2-cyano-N-(2,4-difluorophenyl)propanamide

2-cyano-N-(2,4-difluorophenyl)propanamide (PubChem CID 55208250) has the molecular formula C10H8F2N2O and a molecular weight of 210.18 g/mol. Its IUPAC name is 2-cyano-N-(2,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name2-cyano-N-(2,4-difluorophenyl)propanamide
PubChem CID55208250
Molecular FormulaC10H8F2N2O
Molecular Weight210.18 g/mol
Exact Mass210.06
IUPAC Name2-cyano-N-(2,4-difluorophenyl)propanamide
SMILESCC(C#N)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C10H8F2N2O/c1-6(5-13)10(15)14-9-3-2-7(11)4-8(9)12/h2-4,6H,1H3,(H,14,15)
InChIKeyRXYBGGZSUJKDCH-UHFFFAOYSA-N
XLogP2.06
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluorophenyl)-2-methylpentanamide
CID 2904798
(2R)-N-(2,4-difluorophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 8975147
1-(2-cyano-4-fluorophenyl)-3-(2,4-difluorophenyl)urea
CID 115279853
1-(2,4-difluorophenyl)-3-(2-fluoro-4-propan-2-ylphenyl)urea
CID 146780735
2-[(2,4-difluorophenyl)carbamoylamino]propanoic acid
CID 43288482
2-amino-N-(2,4-difluorophenyl)butanamide
CID 43649437
(2R)-2-cyano-N-(2,4-difluorophenyl)-3-(3-ethylthiophen-2-yl)-3-oxopropanamide
CID 98463823
2-cyano-N-(2-fluoro-5-propanoylphenyl)propanamide
CID 166263365
(2R)-N-(2,4-difluorophenyl)-2,3,3,3-tetrafluoropropanamide
CID 2316423
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 8855742
N-[(2,4-difluorophenyl)carbamothioyl]-2-methylpropanamide
CID 17099714
(2S)-2-(azepan-1-ium-1-yl)-N-(2,4-difluorophenyl)propanamide
CID 9249899

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,4-difluorophenyl)propanamide?
The IUPAC name of 2-cyano-N-(2,4-difluorophenyl)propanamide (CID 55208250) is 2-cyano-N-(2,4-difluorophenyl)propanamide.
What is the SMILES notation for 2-cyano-N-(2,4-difluorophenyl)propanamide?
The canonical SMILES for 2-cyano-N-(2,4-difluorophenyl)propanamide is CC(C#N)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 2-cyano-N-(2,4-difluorophenyl)propanamide?
The InChIKey is RXYBGGZSUJKDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O/c1-6(5-13)10(15)14-9-3-2-7(11)4-8(9)12/h2-4,6H,1H3,(H,14,15).
What are the key properties of 2-cyano-N-(2,4-difluorophenyl)propanamide?
2-cyano-N-(2,4-difluorophenyl)propanamide has a molecular weight of 210.18 g/mol, XLogP of 2.06, 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-difluorophenyl)propanamide is sourced from PubChem (CID 55208250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).