2-(2-cyano-3-fluoroanilino)-N-cyclopentylpropanamide

C15H18FN3O — CID 43580689

IUPAC2-(2-cyano-3-fluoroanilino)-N-cyclopentylpropanamide
SMILESCC(Nc1cccc(F)c1C#N)C(=O)NC1CCCC1
InChIInChI=1S/C15H18FN3O/c1-10(15(20)19-11-5-2-3-6-11)18-14-8-4-7-13(16)12(14)9-17/h4,7-8,10-11,18H,2-3,5-6H2,1H3,(H,19,20)
InChIKeyFVNPJBIXSRLSBM-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.56
Rot. Bonds4

About 2-(2-cyano-3-fluoroanilino)-N-cyclopentylpropanamide

2-(2-cyano-3-fluoroanilino)-N-cyclopentylpropanamide (PubChem CID 43580689) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-(2-cyano-3-fluoroanilino)-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-(2-cyano-3-fluoroanilino)-N-cyclopentylpropanamide
PubChem CID43580689
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name2-(2-cyano-3-fluoroanilino)-N-cyclopentylpropanamide
SMILESCC(Nc1cccc(F)c1C#N)C(=O)NC1CCCC1
InChIInChI=1S/C15H18FN3O/c1-10(15(20)19-11-5-2-3-6-11)18-14-8-4-7-13(16)12(14)9-17/h4,7-8,10-11,18H,2-3,5-6H2,1H3,(H,19,20)
InChIKeyFVNPJBIXSRLSBM-UHFFFAOYSA-N
XLogP2.56
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyano-3-methylanilino)-N-cyclohexylpropanamide
CID 107804498
N-cyclopentyl-2-(2,3-difluoroanilino)propanamide
CID 61074672
N-tert-butyl-2-(2-cyano-3-fluoroanilino)propanamide
CID 43580684
2-(2-cyano-3-fluoroanilino)-N,N-dimethylpropanamide
CID 43580682
2-fluoro-6-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]benzonitrile
CID 43580691
N-cyclohexyl-2-(2-iodoanilino)propanamide
CID 43083874
2-(4-bromo-2-fluoroanilino)-N-cyclopentylpropanamide
CID 43088713
2-(5-bromo-2,4-difluoroanilino)-N-cyclohexylpropanamide
CID 102853387
2-(3-cyano-2-nitroanilino)-N-cyclopropylpropanamide
CID 104718036
2-chloro-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580716
N-cyclohexyl-2-(3-fluoroanilino)propanamide
CID 43083427
2-fluoro-6-[1-(oxolan-3-yl)ethylamino]benzonitrile
CID 115658095

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-3-fluoroanilino)-N-cyclopentylpropanamide?
The IUPAC name of 2-(2-cyano-3-fluoroanilino)-N-cyclopentylpropanamide (CID 43580689) is 2-(2-cyano-3-fluoroanilino)-N-cyclopentylpropanamide.
What is the SMILES notation for 2-(2-cyano-3-fluoroanilino)-N-cyclopentylpropanamide?
The canonical SMILES for 2-(2-cyano-3-fluoroanilino)-N-cyclopentylpropanamide is CC(Nc1cccc(F)c1C#N)C(=O)NC1CCCC1.
What is the InChIKey of 2-(2-cyano-3-fluoroanilino)-N-cyclopentylpropanamide?
The InChIKey is FVNPJBIXSRLSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-10(15(20)19-11-5-2-3-6-11)18-14-8-4-7-13(16)12(14)9-17/h4,7-8,10-11,18H,2-3,5-6H2,1H3,(H,19,20).
What are the key properties of 2-(2-cyano-3-fluoroanilino)-N-cyclopentylpropanamide?
2-(2-cyano-3-fluoroanilino)-N-cyclopentylpropanamide has a molecular weight of 275.33 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-3-fluoroanilino)-N-cyclopentylpropanamide is sourced from PubChem (CID 43580689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).