2-cyano-N-cyclohexyl-3-(4-fluorophenyl)-3-oxopropanamide

C16H17FN2O2 — CID 51086390

IUPAC2-cyano-N-cyclohexyl-3-(4-fluorophenyl)-3-oxopropanamide
SMILESN#CC(C(=O)NC1CCCCC1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O2/c17-12-8-6-11(7-9-12)15(20)14(10-18)16(21)19-13-4-2-1-3-5-13/h6-9,13-14H,1-5H2,(H,19,21)
InChIKeyFAUVMZHVNBRLJK-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.60
Rot. Bonds4

About 2-cyano-N-cyclohexyl-3-(4-fluorophenyl)-3-oxopropanamide

2-cyano-N-cyclohexyl-3-(4-fluorophenyl)-3-oxopropanamide (PubChem CID 51086390) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-cyano-N-cyclohexyl-3-(4-fluorophenyl)-3-oxopropanamide.

Molecular Properties

Compound Name2-cyano-N-cyclohexyl-3-(4-fluorophenyl)-3-oxopropanamide
PubChem CID51086390
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name2-cyano-N-cyclohexyl-3-(4-fluorophenyl)-3-oxopropanamide
SMILESN#CC(C(=O)NC1CCCCC1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O2/c17-12-8-6-11(7-9-12)15(20)14(10-18)16(21)19-13-4-2-1-3-5-13/h6-9,13-14H,1-5H2,(H,19,21)
InChIKeyFAUVMZHVNBRLJK-UHFFFAOYSA-N
XLogP2.60
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-cyano-N-cyclohexyl-3-(3,5-dichlorophenyl)-3-oxopropanamide
CID 98431549
(2R)-2-cyano-N-cyclohexyl-3-oxo-3-(4-pyrazin-2-ylphenyl)propanamide
CID 99696534
(2R)-2-cyano-N-cyclohexyl-3-oxo-3-[4-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 98450066
(2R)-2-cyano-N-cyclohexyl-3-[(2R)-2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl]-3-oxopropanamide
CID 98450060
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 6998373
(2R)-2-cyano-N,3-dicyclohexyl-3-oxopropanamide
CID 94189765
2-cyano-N,3-dicyclohexyl-3-oxopropanamide
CID 47052901
2-cyano-N-cyclohexyl-6-(2-fluorophenoxy)-3-oxohexanamide
CID 60554785
(2S)-2-cyano-3-(4-fluorophenyl)-3-oxo-N-phenylpropanamide
CID 98450143
2-(2-cyanoanilino)-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 102425514
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 7478290
2-chloro-N-cyclopentyl-2-(4-fluorophenyl)acetamide
CID 62224247

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-cyclohexyl-3-(4-fluorophenyl)-3-oxopropanamide?
The IUPAC name of 2-cyano-N-cyclohexyl-3-(4-fluorophenyl)-3-oxopropanamide (CID 51086390) is 2-cyano-N-cyclohexyl-3-(4-fluorophenyl)-3-oxopropanamide.
What is the SMILES notation for 2-cyano-N-cyclohexyl-3-(4-fluorophenyl)-3-oxopropanamide?
The canonical SMILES for 2-cyano-N-cyclohexyl-3-(4-fluorophenyl)-3-oxopropanamide is N#CC(C(=O)NC1CCCCC1)C(=O)c1ccc(F)cc1.
What is the InChIKey of 2-cyano-N-cyclohexyl-3-(4-fluorophenyl)-3-oxopropanamide?
The InChIKey is FAUVMZHVNBRLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c17-12-8-6-11(7-9-12)15(20)14(10-18)16(21)19-13-4-2-1-3-5-13/h6-9,13-14H,1-5H2,(H,19,21).
What are the key properties of 2-cyano-N-cyclohexyl-3-(4-fluorophenyl)-3-oxopropanamide?
2-cyano-N-cyclohexyl-3-(4-fluorophenyl)-3-oxopropanamide has a molecular weight of 288.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-cyclohexyl-3-(4-fluorophenyl)-3-oxopropanamide is sourced from PubChem (CID 51086390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).