(2-fluorophenyl) 5-(cyclohexylamino)-5-oxopentanoate

C17H22FNO3 — CID 4123166

IUPAC(2-fluorophenyl) 5-(cyclohexylamino)-5-oxopentanoate
SMILESO=C(CCCC(=O)Oc1ccccc1F)NC1CCCCC1
InChIInChI=1S/C17H22FNO3/c18-14-9-4-5-10-15(14)22-17(21)12-6-11-16(20)19-13-7-2-1-3-8-13/h4-5,9-10,13H,1-3,6-8,11-12H2,(H,19,20)
InChIKeyHOVQQLMISGFCAZ-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.35
Rot. Bonds6

About (2-fluorophenyl) 5-(cyclohexylamino)-5-oxopentanoate

(2-fluorophenyl) 5-(cyclohexylamino)-5-oxopentanoate (PubChem CID 4123166) has the molecular formula C17H22FNO3 and a molecular weight of 307.36 g/mol. Its IUPAC name is (2-fluorophenyl) 5-(cyclohexylamino)-5-oxopentanoate.

Molecular Properties

Compound Name(2-fluorophenyl) 5-(cyclohexylamino)-5-oxopentanoate
PubChem CID4123166
Molecular FormulaC17H22FNO3
Molecular Weight307.36 g/mol
Exact Mass307.16
IUPAC Name(2-fluorophenyl) 5-(cyclohexylamino)-5-oxopentanoate
SMILESO=C(CCCC(=O)Oc1ccccc1F)NC1CCCCC1
InChIInChI=1S/C17H22FNO3/c18-14-9-4-5-10-15(14)22-17(21)12-6-11-16(20)19-13-7-2-1-3-8-13/h4-5,9-10,13H,1-3,6-8,11-12H2,(H,19,20)
InChIKeyHOVQQLMISGFCAZ-UHFFFAOYSA-N
XLogP3.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-O-(2-cyclohexylethyl) 5-O-(2-fluorophenyl) pentanedioate
CID 91704754
1-O-cyclopentyl 4-O-(2-fluorophenyl) butanedioate
CID 91705018
N-cyclooctyl-5-oxo-5-phenylpentanamide
CID 20969095
N-cyclopentyl-4-(2-ethoxyphenoxy)butanamide
CID 78781833
methyl 6-(cyclopentylamino)-6-oxohexanoate
CID 162372122
N-(2-cyclopentyl-2-hydroxyethyl)-4-(2-fluorophenoxy)butanamide
CID 111426079
3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenoxy)ethyl]propanamide
CID 18162061
2-cyano-N-cyclohexyl-6-(2-fluorophenoxy)-3-oxohexanamide
CID 60554785
3-(2-aminophenoxy)-N-cyclohexylpropanamide
CID 54915855
N-cycloheptyl-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020883
N-[4-(cyclohexylamino)-4-oxobutyl]-2-ethoxybenzamide
CID 51237421
2-(2-fluorophenoxy)-N-piperidin-4-ylacetamide
CID 110488066

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl) 5-(cyclohexylamino)-5-oxopentanoate?
The IUPAC name of (2-fluorophenyl) 5-(cyclohexylamino)-5-oxopentanoate (CID 4123166) is (2-fluorophenyl) 5-(cyclohexylamino)-5-oxopentanoate.
What is the SMILES notation for (2-fluorophenyl) 5-(cyclohexylamino)-5-oxopentanoate?
The canonical SMILES for (2-fluorophenyl) 5-(cyclohexylamino)-5-oxopentanoate is O=C(CCCC(=O)Oc1ccccc1F)NC1CCCCC1.
What is the InChIKey of (2-fluorophenyl) 5-(cyclohexylamino)-5-oxopentanoate?
The InChIKey is HOVQQLMISGFCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO3/c18-14-9-4-5-10-15(14)22-17(21)12-6-11-16(20)19-13-7-2-1-3-8-13/h4-5,9-10,13H,1-3,6-8,11-12H2,(H,19,20).
What are the key properties of (2-fluorophenyl) 5-(cyclohexylamino)-5-oxopentanoate?
(2-fluorophenyl) 5-(cyclohexylamino)-5-oxopentanoate has a molecular weight of 307.36 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl) 5-(cyclohexylamino)-5-oxopentanoate is sourced from PubChem (CID 4123166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).