2-(2,6-difluorophenyl)-N-[(1-methoxy-4-methylcyclohexyl)methyl]cyclopropane-1-carboxamide

C19H25F2NO2 — CID 119037025

IUPAC2-(2,6-difluorophenyl)-N-[(1-methoxy-4-methylcyclohexyl)methyl]cyclopropane-1-carboxamide
SMILESCOC1(CNC(=O)C2CC2c2c(F)cccc2F)CCC(C)CC1
InChIInChI=1S/C19H25F2NO2/c1-12-6-8-19(24-2,9-7-12)11-22-18(23)14-10-13(14)17-15(20)4-3-5-16(17)21/h3-5,12-14H,6-11H2,1-2H3,(H,22,23)
InChIKeyXJQVBKPIBBJDTR-UHFFFAOYSA-N
MW337.41 g/mol
LogP3.78
Rot. Bonds5

About 2-(2,6-difluorophenyl)-N-[(1-methoxy-4-methylcyclohexyl)methyl]cyclopropane-1-carboxamide

2-(2,6-difluorophenyl)-N-[(1-methoxy-4-methylcyclohexyl)methyl]cyclopropane-1-carboxamide (PubChem CID 119037025) has the molecular formula C19H25F2NO2 and a molecular weight of 337.41 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-[(1-methoxy-4-methylcyclohexyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-[(1-methoxy-4-methylcyclohexyl)methyl]cyclopropane-1-carboxamide
PubChem CID119037025
Molecular FormulaC19H25F2NO2
Molecular Weight337.41 g/mol
Exact Mass337.19
IUPAC Name2-(2,6-difluorophenyl)-N-[(1-methoxy-4-methylcyclohexyl)methyl]cyclopropane-1-carboxamide
SMILESCOC1(CNC(=O)C2CC2c2c(F)cccc2F)CCC(C)CC1
InChIInChI=1S/C19H25F2NO2/c1-12-6-8-19(24-2,9-7-12)11-22-18(23)14-10-13(14)17-15(20)4-3-5-16(17)21/h3-5,12-14H,6-11H2,1-2H3,(H,22,23)
InChIKeyXJQVBKPIBBJDTR-UHFFFAOYSA-N
XLogP3.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-[(1-methoxy-4-methylcyclohexyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2,6-difluorophenyl)-N-[(1-methoxy-4-methylcyclohexyl)methyl]cyclopropane-1-carboxamide (CID 119037025) is 2-(2,6-difluorophenyl)-N-[(1-methoxy-4-methylcyclohexyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-[(1-methoxy-4-methylcyclohexyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-[(1-methoxy-4-methylcyclohexyl)methyl]cyclopropane-1-carboxamide is COC1(CNC(=O)C2CC2c2c(F)cccc2F)CCC(C)CC1.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-[(1-methoxy-4-methylcyclohexyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is XJQVBKPIBBJDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2NO2/c1-12-6-8-19(24-2,9-7-12)11-22-18(23)14-10-13(14)17-15(20)4-3-5-16(17)21/h3-5,12-14H,6-11H2,1-2H3,(H,22,23).
What are the key properties of 2-(2,6-difluorophenyl)-N-[(1-methoxy-4-methylcyclohexyl)methyl]cyclopropane-1-carboxamide?
2-(2,6-difluorophenyl)-N-[(1-methoxy-4-methylcyclohexyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 337.41 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N-[(1-methoxy-4-methylcyclohexyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119037025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).