2-(4-cyano-2-fluoroanilino)propanamide

C10H10FN3O — CID 43657192

IUPAC2-(4-cyano-2-fluoroanilino)propanamide
SMILESCC(Nc1ccc(C#N)cc1F)C(N)=O
InChIInChI=1S/C10H10FN3O/c1-6(10(13)15)14-9-3-2-7(5-12)4-8(9)11/h2-4,6,14H,1H3,(H2,13,15)
InChIKeySAPCHUZIPIHMKP-UHFFFAOYSA-N
MW207.21 g/mol
LogP0.98
Rot. Bonds3

About 2-(4-cyano-2-fluoroanilino)propanamide

2-(4-cyano-2-fluoroanilino)propanamide (PubChem CID 43657192) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is 2-(4-cyano-2-fluoroanilino)propanamide.

Molecular Properties

Compound Name2-(4-cyano-2-fluoroanilino)propanamide
PubChem CID43657192
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name2-(4-cyano-2-fluoroanilino)propanamide
SMILESCC(Nc1ccc(C#N)cc1F)C(N)=O
InChIInChI=1S/C10H10FN3O/c1-6(10(13)15)14-9-3-2-7(5-12)4-8(9)11/h2-4,6,14H,1H3,(H2,13,15)
InChIKeySAPCHUZIPIHMKP-UHFFFAOYSA-N
XLogP0.98
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyano-2-fluoroanilino)propanoic acid
CID 43656940
3-(4-cyano-2-fluoroanilino)butanamide
CID 115685019
3-fluoro-4-(propan-2-ylamino)benzonitrile
CID 43656980
N-(4-cyano-2-fluorophenyl)acetamide
CID 11344323
4-[1-(2-aminophenyl)ethylamino]-3-fluorobenzonitrile
CID 60871577
2-(4-cyano-2-fluoroanilino)-4-methoxybutanoic acid
CID 62478283
5-amino-N-(4-cyano-2-fluorophenyl)-2-methylpentanamide
CID 104685438
3-fluoro-4-(methylamino)benzonitrile
CID 21029569
4-(1-cyclobutylethylamino)-3-fluorobenzonitrile
CID 115766674
2-(2-amino-4-fluoroanilino)propanamide
CID 43545455
2-[(5-cyano-2-pyridinyl)amino]propanamide
CID 43402789
2-bromo-N-(4-cyano-2-fluorophenyl)-2-methylpropanamide
CID 114328975

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-fluoroanilino)propanamide?
The IUPAC name of 2-(4-cyano-2-fluoroanilino)propanamide (CID 43657192) is 2-(4-cyano-2-fluoroanilino)propanamide.
What is the SMILES notation for 2-(4-cyano-2-fluoroanilino)propanamide?
The canonical SMILES for 2-(4-cyano-2-fluoroanilino)propanamide is CC(Nc1ccc(C#N)cc1F)C(N)=O.
What is the InChIKey of 2-(4-cyano-2-fluoroanilino)propanamide?
The InChIKey is SAPCHUZIPIHMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c1-6(10(13)15)14-9-3-2-7(5-12)4-8(9)11/h2-4,6,14H,1H3,(H2,13,15).
What are the key properties of 2-(4-cyano-2-fluoroanilino)propanamide?
2-(4-cyano-2-fluoroanilino)propanamide has a molecular weight of 207.21 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-fluoroanilino)propanamide is sourced from PubChem (CID 43657192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).