1-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)cyclohexane-1-carboxamide

C21H24FNO3 — CID 1267461

IUPAC1-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3ccc(F)cc3)CCCCC2)cc1OC
InChIInChI=1S/C21H24FNO3/c1-25-18-11-6-15(14-19(18)26-2)21(12-4-3-5-13-21)20(24)23-17-9-7-16(22)8-10-17/h6-11,14H,3-5,12-13H2,1-2H3,(H,23,24)
InChIKeyYTKYJHIIXFYMJO-UHFFFAOYSA-N
MW357.43 g/mol
LogP4.68
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)cyclohexane-1-carboxamide

1-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)cyclohexane-1-carboxamide (PubChem CID 1267461) has the molecular formula C21H24FNO3 and a molecular weight of 357.43 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)cyclohexane-1-carboxamide
PubChem CID1267461
Molecular FormulaC21H24FNO3
Molecular Weight357.43 g/mol
Exact Mass357.17
IUPAC Name1-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3ccc(F)cc3)CCCCC2)cc1OC
InChIInChI=1S/C21H24FNO3/c1-25-18-11-6-15(14-19(18)26-2)21(12-4-3-5-13-21)20(24)23-17-9-7-16(22)8-10-17/h6-11,14H,3-5,12-13H2,1-2H3,(H,23,24)
InChIKeyYTKYJHIIXFYMJO-UHFFFAOYSA-N
XLogP4.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)cyclohexane-1-carboxamide (CID 1267461) is 1-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)cyclohexane-1-carboxamide is COc1ccc(C2(C(=O)Nc3ccc(F)cc3)CCCCC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)cyclohexane-1-carboxamide?
The InChIKey is YTKYJHIIXFYMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO3/c1-25-18-11-6-15(14-19(18)26-2)21(12-4-3-5-13-21)20(24)23-17-9-7-16(22)8-10-17/h6-11,14H,3-5,12-13H2,1-2H3,(H,23,24).
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)cyclohexane-1-carboxamide?
1-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)cyclohexane-1-carboxamide has a molecular weight of 357.43 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 1267461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).