1-(4-fluorophenyl)-2-methoxycyclohexane-1-carboxamide

C14H18FNO2 — CID 141221225

IUPAC1-(4-fluorophenyl)-2-methoxycyclohexane-1-carboxamide
SMILESCOC1CCCCC1(C(N)=O)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO2/c1-18-12-4-2-3-9-14(12,13(16)17)10-5-7-11(15)8-6-10/h5-8,12H,2-4,9H2,1H3,(H2,16,17)
InChIKeyFHSOIDIKENLEJL-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.14
Rot. Bonds3

About 1-(4-fluorophenyl)-2-methoxycyclohexane-1-carboxamide

1-(4-fluorophenyl)-2-methoxycyclohexane-1-carboxamide (PubChem CID 141221225) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-methoxycyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-methoxycyclohexane-1-carboxamide
PubChem CID141221225
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name1-(4-fluorophenyl)-2-methoxycyclohexane-1-carboxamide
SMILESCOC1CCCCC1(C(N)=O)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO2/c1-18-12-4-2-3-9-14(12,13(16)17)10-5-7-11(15)8-6-10/h5-8,12H,2-4,9H2,1H3,(H2,16,17)
InChIKeyFHSOIDIKENLEJL-UHFFFAOYSA-N
XLogP2.14
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-methoxycyclohexane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-2-methoxycyclohexane-1-carboxamide (CID 141221225) is 1-(4-fluorophenyl)-2-methoxycyclohexane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-2-methoxycyclohexane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-2-methoxycyclohexane-1-carboxamide is COC1CCCCC1(C(N)=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-methoxycyclohexane-1-carboxamide?
The InChIKey is FHSOIDIKENLEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-18-12-4-2-3-9-14(12,13(16)17)10-5-7-11(15)8-6-10/h5-8,12H,2-4,9H2,1H3,(H2,16,17).
What are the key properties of 1-(4-fluorophenyl)-2-methoxycyclohexane-1-carboxamide?
1-(4-fluorophenyl)-2-methoxycyclohexane-1-carboxamide has a molecular weight of 251.30 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-methoxycyclohexane-1-carboxamide is sourced from PubChem (CID 141221225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).