N-(2-cyano-4-fluorophenyl)propanamide

C10H9FN2O — CID 79952819

IUPACN-(2-cyano-4-fluorophenyl)propanamide
SMILESCCC(=O)Nc1ccc(F)cc1C#N
InChIInChI=1S/C10H9FN2O/c1-2-10(14)13-9-4-3-8(11)5-7(9)6-12/h3-5H,2H2,1H3,(H,13,14)
InChIKeyXIBDFCCECIQGBP-UHFFFAOYSA-N
MW192.19 g/mol
LogP2.05
Rot. Bonds2

About N-(2-cyano-4-fluorophenyl)propanamide

N-(2-cyano-4-fluorophenyl)propanamide (PubChem CID 79952819) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is N-(2-cyano-4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-(2-cyano-4-fluorophenyl)propanamide
PubChem CID79952819
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC NameN-(2-cyano-4-fluorophenyl)propanamide
SMILESCCC(=O)Nc1ccc(F)cc1C#N
InChIInChI=1S/C10H9FN2O/c1-2-10(14)13-9-4-3-8(11)5-7(9)6-12/h3-5H,2H2,1H3,(H,13,14)
InChIKeyXIBDFCCECIQGBP-UHFFFAOYSA-N
XLogP2.05
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyano-4-fluorophenyl)-3,3-dimethylbutanamide
CID 79953681
N-(2-cyano-4-fluorophenyl)-3-sulfanylpropanamide
CID 107033592
ethyl 4-(2-cyano-4-fluoroanilino)-4-oxobutanoate
CID 79952676
N-(2-cyano-4-fluorophenyl)-3-propoxypropanamide
CID 82015415
N-[2-cyano-4-(trifluoromethyl)phenyl]propanamide
CID 112556165
4-amino-N-(2-cyano-4-fluorophenyl)-4-methylpentanamide
CID 82015813
N-(2-cyano-4-fluorophenyl)-4-ethoxybutanamide
CID 79954693
N-(2-cyano-4-fluorophenyl)-5-hydroxypentanamide
CID 82684893
1-(2-cyano-4-fluorophenyl)-3-[(2R)-1-hydroxybutan-2-yl]urea
CID 97025761
2-[(2-cyano-4-fluorophenyl)carbamoylamino]-N-ethylacetamide
CID 78839111
N-(2-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide
CID 79955008
2-cyano-N-(2-cyano-4-fluorophenyl)butanamide
CID 82015517

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-fluorophenyl)propanamide?
The IUPAC name of N-(2-cyano-4-fluorophenyl)propanamide (CID 79952819) is N-(2-cyano-4-fluorophenyl)propanamide.
What is the SMILES notation for N-(2-cyano-4-fluorophenyl)propanamide?
The canonical SMILES for N-(2-cyano-4-fluorophenyl)propanamide is CCC(=O)Nc1ccc(F)cc1C#N.
What is the InChIKey of N-(2-cyano-4-fluorophenyl)propanamide?
The InChIKey is XIBDFCCECIQGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c1-2-10(14)13-9-4-3-8(11)5-7(9)6-12/h3-5H,2H2,1H3,(H,13,14).
What are the key properties of N-(2-cyano-4-fluorophenyl)propanamide?
N-(2-cyano-4-fluorophenyl)propanamide has a molecular weight of 192.19 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-fluorophenyl)propanamide is sourced from PubChem (CID 79952819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).