3,5-difluoro-4-methoxy-N-(2-methylcyclohexyl)benzamide

C15H19F2NO2 — CID 59356103

IUPAC3,5-difluoro-4-methoxy-N-(2-methylcyclohexyl)benzamide
SMILESCOc1c(F)cc(C(=O)NC2CCCCC2C)cc1F
InChIInChI=1S/C15H19F2NO2/c1-9-5-3-4-6-13(9)18-15(19)10-7-11(16)14(20-2)12(17)8-10/h7-9,13H,3-6H2,1-2H3,(H,18,19)
InChIKeyIORUMEQSGWWRQK-UHFFFAOYSA-N
MW283.32 g/mol
LogP3.28
Rot. Bonds3

About 3,5-difluoro-4-methoxy-N-(2-methylcyclohexyl)benzamide

3,5-difluoro-4-methoxy-N-(2-methylcyclohexyl)benzamide (PubChem CID 59356103) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is 3,5-difluoro-4-methoxy-N-(2-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name3,5-difluoro-4-methoxy-N-(2-methylcyclohexyl)benzamide
PubChem CID59356103
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name3,5-difluoro-4-methoxy-N-(2-methylcyclohexyl)benzamide
SMILESCOc1c(F)cc(C(=O)NC2CCCCC2C)cc1F
InChIInChI=1S/C15H19F2NO2/c1-9-5-3-4-6-13(9)18-15(19)10-7-11(16)14(20-2)12(17)8-10/h7-9,13H,3-6H2,1-2H3,(H,18,19)
InChIKeyIORUMEQSGWWRQK-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-difluoro-N-[(1R,2S)-2-methylcyclohexyl]-4-prop-2-ynoxybenzamide
CID 87640430
3-chloro-4,5-dimethoxy-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 9403796
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
3,5-diamino-N-(2-methylcyclohexyl)benzamide
CID 61090027
4-fluoro-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 2098476
3-bromo-4-fluoro-N-(2-methylcycloheptyl)benzamide
CID 114020017
3-methoxy-4-methyl-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9084365
2-methoxy-N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 59355726
4-amino-3-methoxy-N-(2-methylcyclohexyl)benzamide
CID 82070566
1-[(1S,2R)-2-methylcyclohexyl]-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea
CID 8624992
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
2,3,4-trimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 8023831

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-methoxy-N-(2-methylcyclohexyl)benzamide?
The IUPAC name of 3,5-difluoro-4-methoxy-N-(2-methylcyclohexyl)benzamide (CID 59356103) is 3,5-difluoro-4-methoxy-N-(2-methylcyclohexyl)benzamide.
What is the SMILES notation for 3,5-difluoro-4-methoxy-N-(2-methylcyclohexyl)benzamide?
The canonical SMILES for 3,5-difluoro-4-methoxy-N-(2-methylcyclohexyl)benzamide is COc1c(F)cc(C(=O)NC2CCCCC2C)cc1F.
What is the InChIKey of 3,5-difluoro-4-methoxy-N-(2-methylcyclohexyl)benzamide?
The InChIKey is IORUMEQSGWWRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-9-5-3-4-6-13(9)18-15(19)10-7-11(16)14(20-2)12(17)8-10/h7-9,13H,3-6H2,1-2H3,(H,18,19).
What are the key properties of 3,5-difluoro-4-methoxy-N-(2-methylcyclohexyl)benzamide?
3,5-difluoro-4-methoxy-N-(2-methylcyclohexyl)benzamide has a molecular weight of 283.32 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-methoxy-N-(2-methylcyclohexyl)benzamide is sourced from PubChem (CID 59356103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).