2-(3-fluoro-2-methoxy-4-methylphenyl)-5,5-dimethylcyclohexane-1-carboxamide

C17H24FNO2 — CID 177193199

IUPAC2-(3-fluoro-2-methoxy-4-methylphenyl)-5,5-dimethylcyclohexane-1-carboxamide
SMILESCOc1c(C2CCC(C)(C)CC2C(N)=O)ccc(C)c1F
InChIInChI=1S/C17H24FNO2/c1-10-5-6-12(15(21-4)14(10)18)11-7-8-17(2,3)9-13(11)16(19)20/h5-6,11,13H,7-9H2,1-4H3,(H2,19,20)
InChIKeyUBQJJIGUBRMUPJ-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.54
Rot. Bonds3

About 2-(3-fluoro-2-methoxy-4-methylphenyl)-5,5-dimethylcyclohexane-1-carboxamide

2-(3-fluoro-2-methoxy-4-methylphenyl)-5,5-dimethylcyclohexane-1-carboxamide (PubChem CID 177193199) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 2-(3-fluoro-2-methoxy-4-methylphenyl)-5,5-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-(3-fluoro-2-methoxy-4-methylphenyl)-5,5-dimethylcyclohexane-1-carboxamide
PubChem CID177193199
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name2-(3-fluoro-2-methoxy-4-methylphenyl)-5,5-dimethylcyclohexane-1-carboxamide
SMILESCOc1c(C2CCC(C)(C)CC2C(N)=O)ccc(C)c1F
InChIInChI=1S/C17H24FNO2/c1-10-5-6-12(15(21-4)14(10)18)11-7-8-17(2,3)9-13(11)16(19)20/h5-6,11,13H,7-9H2,1-4H3,(H2,19,20)
InChIKeyUBQJJIGUBRMUPJ-UHFFFAOYSA-N
XLogP3.54
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-methoxy-4-methylphenyl)-5,5-dimethylcyclohexane-1-carboxamide?
The IUPAC name of 2-(3-fluoro-2-methoxy-4-methylphenyl)-5,5-dimethylcyclohexane-1-carboxamide (CID 177193199) is 2-(3-fluoro-2-methoxy-4-methylphenyl)-5,5-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-(3-fluoro-2-methoxy-4-methylphenyl)-5,5-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for 2-(3-fluoro-2-methoxy-4-methylphenyl)-5,5-dimethylcyclohexane-1-carboxamide is COc1c(C2CCC(C)(C)CC2C(N)=O)ccc(C)c1F.
What is the InChIKey of 2-(3-fluoro-2-methoxy-4-methylphenyl)-5,5-dimethylcyclohexane-1-carboxamide?
The InChIKey is UBQJJIGUBRMUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-10-5-6-12(15(21-4)14(10)18)11-7-8-17(2,3)9-13(11)16(19)20/h5-6,11,13H,7-9H2,1-4H3,(H2,19,20).
What are the key properties of 2-(3-fluoro-2-methoxy-4-methylphenyl)-5,5-dimethylcyclohexane-1-carboxamide?
2-(3-fluoro-2-methoxy-4-methylphenyl)-5,5-dimethylcyclohexane-1-carboxamide has a molecular weight of 293.38 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-methoxy-4-methylphenyl)-5,5-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 177193199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).