(1R)-N-[2-(2-fluorophenyl)ethyl]cyclohex-3-ene-1-carboxamide

C15H18FNO — CID 39911564

IUPAC(1R)-N-[2-(2-fluorophenyl)ethyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCCc1ccccc1F)[C@H]1CC=CCC1
InChIInChI=1S/C15H18FNO/c16-14-9-5-4-6-12(14)10-11-17-15(18)13-7-2-1-3-8-13/h1-2,4-6,9,13H,3,7-8,10-11H2,(H,17,18)/t13-/m0/s1
InChIKeyKNNBRCSZICAAGB-ZDUSSCGKSA-N
MW247.31 g/mol
LogP2.84
Rot. Bonds4

About (1R)-N-[2-(2-fluorophenyl)ethyl]cyclohex-3-ene-1-carboxamide

(1R)-N-[2-(2-fluorophenyl)ethyl]cyclohex-3-ene-1-carboxamide (PubChem CID 39911564) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is (1R)-N-[2-(2-fluorophenyl)ethyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[2-(2-fluorophenyl)ethyl]cyclohex-3-ene-1-carboxamide
PubChem CID39911564
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC Name(1R)-N-[2-(2-fluorophenyl)ethyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCCc1ccccc1F)[C@H]1CC=CCC1
InChIInChI=1S/C15H18FNO/c16-14-9-5-4-6-12(14)10-11-17-15(18)13-7-2-1-3-8-13/h1-2,4-6,9,13H,3,7-8,10-11H2,(H,17,18)/t13-/m0/s1
InChIKeyKNNBRCSZICAAGB-ZDUSSCGKSA-N
XLogP2.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 78792132
N-[2-(cyclohex-3-ene-1-carbonylamino)ethyl]-2,6-difluorobenzamide
CID 56789006
N-[2-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]ethyl]-2,6-difluorobenzamide
CID 95624826
trans-(1S,3S)-3-[2-(2-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552893
cis-(1S,3R)-3-[2-(2-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552892
1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566
3-amino-N-[2-(2-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 66031268
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate
CID 8566951
N-[2-(2-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145613
1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 39713860
1-(2-cyclopent-2-en-1-ylacetyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55778987
(1R)-N-[(2-chlorophenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 9401002

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[2-(2-fluorophenyl)ethyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-[2-(2-fluorophenyl)ethyl]cyclohex-3-ene-1-carboxamide (CID 39911564) is (1R)-N-[2-(2-fluorophenyl)ethyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-[2-(2-fluorophenyl)ethyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-[2-(2-fluorophenyl)ethyl]cyclohex-3-ene-1-carboxamide is O=C(NCCc1ccccc1F)[C@H]1CC=CCC1.
What is the InChIKey of (1R)-N-[2-(2-fluorophenyl)ethyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is KNNBRCSZICAAGB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18FNO/c16-14-9-5-4-6-12(14)10-11-17-15(18)13-7-2-1-3-8-13/h1-2,4-6,9,13H,3,7-8,10-11H2,(H,17,18)/t13-/m0/s1.
What are the key properties of (1R)-N-[2-(2-fluorophenyl)ethyl]cyclohex-3-ene-1-carboxamide?
(1R)-N-[2-(2-fluorophenyl)ethyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 247.31 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[2-(2-fluorophenyl)ethyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 39911564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).