(Z)-2-cyano-N-cyclopentyl-3-(2-fluorophenyl)prop-2-enamide

C15H15FN2O — CID 51322190

IUPAC(Z)-2-cyano-N-cyclopentyl-3-(2-fluorophenyl)prop-2-enamide
SMILESN#C/C(=C/c1ccccc1F)C(=O)NC1CCCC1
InChIInChI=1S/C15H15FN2O/c16-14-8-4-1-5-11(14)9-12(10-17)15(19)18-13-6-2-3-7-13/h1,4-5,8-9,13H,2-3,6-7H2,(H,18,19)/b12-9-
InChIKeySGJNLFLKUBHJQG-XFXZXTDPSA-N
MW258.30 g/mol
LogP2.79
Rot. Bonds3

About (Z)-2-cyano-N-cyclopentyl-3-(2-fluorophenyl)prop-2-enamide

(Z)-2-cyano-N-cyclopentyl-3-(2-fluorophenyl)prop-2-enamide (PubChem CID 51322190) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is (Z)-2-cyano-N-cyclopentyl-3-(2-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-cyclopentyl-3-(2-fluorophenyl)prop-2-enamide
PubChem CID51322190
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name(Z)-2-cyano-N-cyclopentyl-3-(2-fluorophenyl)prop-2-enamide
SMILESN#C/C(=C/c1ccccc1F)C(=O)NC1CCCC1
InChIInChI=1S/C15H15FN2O/c16-14-8-4-1-5-11(14)9-12(10-17)15(19)18-13-6-2-3-7-13/h1,4-5,8-9,13H,2-3,6-7H2,(H,18,19)/b12-9-
InChIKeySGJNLFLKUBHJQG-XFXZXTDPSA-N
XLogP2.79
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-bromo-2-fluorophenyl)-2-cyano-N-cyclohexylprop-2-enamide
CID 7967077
(E)-2-cyano-N-cyclododecyl-3-(2-methoxyphenyl)prop-2-enamide
CID 19175296
(Z)-2-cyano-N-cyclododecyl-3-(2-fluoroanilino)prop-2-enamide
CID 108862661
(E)-N-cyclohexyl-3-(2-fluorophenyl)-2-methylprop-2-enamide
CID 110298620
2-[2-[(Z)-2-cyano-3-(cyclopentylamino)-3-oxoprop-1-enyl]phenoxy]acetic acid
CID 56809771
(Z)-2-cyano-3-(2-fluorophenyl)-N-methylprop-2-enamide
CID 19183427
(E)-2-cyano-N-cyclohexyl-3-(2-propoxyphenyl)prop-2-enamide
CID 19206616
(Z)-2-cyano-N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide
CID 23476689
(Z)-2-cyano-N-cyclododecyl-3-[(2-fluorophenyl)methylamino]prop-2-enamide
CID 108862776
(E)-2-cyano-N-cyclohexyl-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide
CID 2387889
(Z)-2-cyano-N-cyclopentyl-3-[2-[(4-iodophenyl)methoxy]phenyl]prop-2-enamide
CID 126197199
3-(3-chloro-2,4,5-trifluorophenyl)-2-cyano-N-cyclopropylprop-2-enamide
CID 171316212

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-cyclopentyl-3-(2-fluorophenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-cyclopentyl-3-(2-fluorophenyl)prop-2-enamide (CID 51322190) is (Z)-2-cyano-N-cyclopentyl-3-(2-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-cyclopentyl-3-(2-fluorophenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-cyclopentyl-3-(2-fluorophenyl)prop-2-enamide is N#C/C(=C/c1ccccc1F)C(=O)NC1CCCC1.
What is the InChIKey of (Z)-2-cyano-N-cyclopentyl-3-(2-fluorophenyl)prop-2-enamide?
The InChIKey is SGJNLFLKUBHJQG-XFXZXTDPSA-N. The full InChI is InChI=1S/C15H15FN2O/c16-14-8-4-1-5-11(14)9-12(10-17)15(19)18-13-6-2-3-7-13/h1,4-5,8-9,13H,2-3,6-7H2,(H,18,19)/b12-9-.
What are the key properties of (Z)-2-cyano-N-cyclopentyl-3-(2-fluorophenyl)prop-2-enamide?
(Z)-2-cyano-N-cyclopentyl-3-(2-fluorophenyl)prop-2-enamide has a molecular weight of 258.30 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-cyclopentyl-3-(2-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 51322190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).