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

C14H18FNO2 — CID 89478672

IUPAC4-(4-fluorophenyl)-4-methoxycyclohexane-1-carboxamide
SMILESCOC1(c2ccc(F)cc2)CCC(C(N)=O)CC1
InChIInChI=1S/C14H18FNO2/c1-18-14(11-2-4-12(15)5-3-11)8-6-10(7-9-14)13(16)17/h2-5,10H,6-9H2,1H3,(H2,16,17)
InChIKeyCTROXMJEOUSSRF-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.34
Rot. Bonds3

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

4-(4-fluorophenyl)-4-methoxycyclohexane-1-carboxamide (PubChem CID 89478672) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-4-methoxycyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-4-methoxycyclohexane-1-carboxamide
PubChem CID89478672
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name4-(4-fluorophenyl)-4-methoxycyclohexane-1-carboxamide
SMILESCOC1(c2ccc(F)cc2)CCC(C(N)=O)CC1
InChIInChI=1S/C14H18FNO2/c1-18-14(11-2-4-12(15)5-3-11)8-6-10(7-9-14)13(16)17/h2-5,10H,6-9H2,1H3,(H2,16,17)
InChIKeyCTROXMJEOUSSRF-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-4-methoxycyclohexane-1-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-4-methoxycyclohexane-1-carboxamide (CID 89478672) is 4-(4-fluorophenyl)-4-methoxycyclohexane-1-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-4-methoxycyclohexane-1-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-4-methoxycyclohexane-1-carboxamide is COC1(c2ccc(F)cc2)CCC(C(N)=O)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-4-methoxycyclohexane-1-carboxamide?
The InChIKey is CTROXMJEOUSSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-18-14(11-2-4-12(15)5-3-11)8-6-10(7-9-14)13(16)17/h2-5,10H,6-9H2,1H3,(H2,16,17).
What are the key properties of 4-(4-fluorophenyl)-4-methoxycyclohexane-1-carboxamide?
4-(4-fluorophenyl)-4-methoxycyclohexane-1-carboxamide has a molecular weight of 251.30 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-4-methoxycyclohexane-1-carboxamide is sourced from PubChem (CID 89478672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).