2-cyano-N-cyclohexyl-6-(2-fluorophenoxy)-3-oxohexanamide

C19H23FN2O3 — CID 60554785

IUPAC2-cyano-N-cyclohexyl-6-(2-fluorophenoxy)-3-oxohexanamide
SMILESN#CC(C(=O)CCCOc1ccccc1F)C(=O)NC1CCCCC1
InChIInChI=1S/C19H23FN2O3/c20-16-9-4-5-11-18(16)25-12-6-10-17(23)15(13-21)19(24)22-14-7-2-1-3-8-14/h4-5,9,11,14-15H,1-3,6-8,10,12H2,(H,22,24)
InChIKeyJDPPAACUTYAXQB-UHFFFAOYSA-N
MW346.40 g/mol
LogP3.14
Rot. Bonds8

About 2-cyano-N-cyclohexyl-6-(2-fluorophenoxy)-3-oxohexanamide

2-cyano-N-cyclohexyl-6-(2-fluorophenoxy)-3-oxohexanamide (PubChem CID 60554785) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is 2-cyano-N-cyclohexyl-6-(2-fluorophenoxy)-3-oxohexanamide.

Molecular Properties

Compound Name2-cyano-N-cyclohexyl-6-(2-fluorophenoxy)-3-oxohexanamide
PubChem CID60554785
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name2-cyano-N-cyclohexyl-6-(2-fluorophenoxy)-3-oxohexanamide
SMILESN#CC(C(=O)CCCOc1ccccc1F)C(=O)NC1CCCCC1
InChIInChI=1S/C19H23FN2O3/c20-16-9-4-5-11-18(16)25-12-6-10-17(23)15(13-21)19(24)22-14-7-2-1-3-8-14/h4-5,9,11,14-15H,1-3,6-8,10,12H2,(H,22,24)
InChIKeyJDPPAACUTYAXQB-UHFFFAOYSA-N
XLogP3.14
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-(2-ethoxyphenyl)-6-(2-fluorophenoxy)-3-oxohexanamide
CID 60554363
(2R)-2-cyano-N-cyclopentyl-3,6-dioxo-6-phenylhexanamide
CID 98200987
2-cyano-N-cyclohexyl-3-(4-fluorophenyl)-3-oxopropanamide
CID 51086390
(2-fluorophenyl) 5-(cyclohexylamino)-5-oxopentanoate
CID 4123166
N-(2-cyclopentyl-2-hydroxyethyl)-4-(2-fluorophenoxy)butanamide
CID 111426079
3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenoxy)ethyl]propanamide
CID 18162061
1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-4-(2-fluorophenoxy)butan-1-one
CID 55956319
N-[4-cyano-5-(cyclohexylamino)-3,5-dioxopentyl]thiophene-3-carboxamide
CID 87011948
N-cyclopropyl-2-[2-(2-fluorophenoxy)ethyl-methylamino]propanamide
CID 55432130
(E,2S)-2-cyano-N-cyclopentyl-6-(2-methoxyphenyl)-5-methyl-3-oxohex-4-enamide
CID 98184686
2-(cyclopropylamino)-4-(2-fluorophenoxy)butanenitrile
CID 63028623
(2R)-2-cyano-N-cyclopropyl-3,6-dioxo-6-(4-phenylphenyl)hexanamide
CID 99625983

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-cyclohexyl-6-(2-fluorophenoxy)-3-oxohexanamide?
The IUPAC name of 2-cyano-N-cyclohexyl-6-(2-fluorophenoxy)-3-oxohexanamide (CID 60554785) is 2-cyano-N-cyclohexyl-6-(2-fluorophenoxy)-3-oxohexanamide.
What is the SMILES notation for 2-cyano-N-cyclohexyl-6-(2-fluorophenoxy)-3-oxohexanamide?
The canonical SMILES for 2-cyano-N-cyclohexyl-6-(2-fluorophenoxy)-3-oxohexanamide is N#CC(C(=O)CCCOc1ccccc1F)C(=O)NC1CCCCC1.
What is the InChIKey of 2-cyano-N-cyclohexyl-6-(2-fluorophenoxy)-3-oxohexanamide?
The InChIKey is JDPPAACUTYAXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3/c20-16-9-4-5-11-18(16)25-12-6-10-17(23)15(13-21)19(24)22-14-7-2-1-3-8-14/h4-5,9,11,14-15H,1-3,6-8,10,12H2,(H,22,24).
What are the key properties of 2-cyano-N-cyclohexyl-6-(2-fluorophenoxy)-3-oxohexanamide?
2-cyano-N-cyclohexyl-6-(2-fluorophenoxy)-3-oxohexanamide has a molecular weight of 346.40 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-cyclohexyl-6-(2-fluorophenoxy)-3-oxohexanamide is sourced from PubChem (CID 60554785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).