N-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide

C15H20FNO — CID 78792132

IUPACN-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide
SMILESO=C(NCCc1ccccc1F)C1CCCCC1
InChIInChI=1S/C15H20FNO/c16-14-9-5-4-6-12(14)10-11-17-15(18)13-7-2-1-3-8-13/h4-6,9,13H,1-3,7-8,10-11H2,(H,17,18)
InChIKeyPTOPDNCWHBIYHO-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.06
Rot. Bonds4

About N-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide

N-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide (PubChem CID 78792132) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide
PubChem CID78792132
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC NameN-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide
SMILESO=C(NCCc1ccccc1F)C1CCCCC1
InChIInChI=1S/C15H20FNO/c16-14-9-5-4-6-12(14)10-11-17-15(18)13-7-2-1-3-8-13/h4-6,9,13H,1-3,7-8,10-11H2,(H,17,18)
InChIKeyPTOPDNCWHBIYHO-UHFFFAOYSA-N
XLogP3.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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
N-[2-(2-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145613
1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566
(1R)-N-[2-(2-fluorophenyl)ethyl]cyclohex-3-ene-1-carboxamide
CID 39911564
1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 39713860
N-(2-naphthalen-1-ylethyl)cyclohexanecarboxamide
CID 19963481
3-amino-N-[2-(2-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 66031268
4-N,4-N-diethyl-1-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109149058
trans-(1S,2S)-N-[2-(2-fluorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 95271735
1-cyclopentyl-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42916466
4-(2-ethylpiperidine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 109149064

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide (CID 78792132) is N-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide is O=C(NCCc1ccccc1F)C1CCCCC1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide?
The InChIKey is PTOPDNCWHBIYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c16-14-9-5-4-6-12(14)10-11-17-15(18)13-7-2-1-3-8-13/h4-6,9,13H,1-3,7-8,10-11H2,(H,17,18).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide?
N-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide has a molecular weight of 249.33 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 78792132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).