2,5-difluoro-N-(4-methoxycyclohexyl)-4-methylbenzamide

C15H19F2NO2 — CID 136547195

IUPAC2,5-difluoro-N-(4-methoxycyclohexyl)-4-methylbenzamide
SMILESCOC1CCC(NC(=O)c2cc(F)c(C)cc2F)CC1
InChIInChI=1S/C15H19F2NO2/c1-9-7-14(17)12(8-13(9)16)15(19)18-10-3-5-11(20-2)6-4-10/h7-8,10-11H,3-6H2,1-2H3,(H,18,19)
InChIKeyYXDFWRSJSCTWBT-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.96
Rot. Bonds3

About 2,5-difluoro-N-(4-methoxycyclohexyl)-4-methylbenzamide

2,5-difluoro-N-(4-methoxycyclohexyl)-4-methylbenzamide (PubChem CID 136547195) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is 2,5-difluoro-N-(4-methoxycyclohexyl)-4-methylbenzamide.

Molecular Properties

Compound Name2,5-difluoro-N-(4-methoxycyclohexyl)-4-methylbenzamide
PubChem CID136547195
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name2,5-difluoro-N-(4-methoxycyclohexyl)-4-methylbenzamide
SMILESCOC1CCC(NC(=O)c2cc(F)c(C)cc2F)CC1
InChIInChI=1S/C15H19F2NO2/c1-9-7-14(17)12(8-13(9)16)15(19)18-10-3-5-11(20-2)6-4-10/h7-8,10-11H,3-6H2,1-2H3,(H,18,19)
InChIKeyYXDFWRSJSCTWBT-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-cyclobutyl-2-fluoro-5-hydroxy-4-methylbenzamide
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2,4-difluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
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2-fluoro-N-(3-methoxycyclopentyl)-5-nitrobenzamide
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(4-methoxycyclohexyl)carbamic acid
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N-cyclopropyl-4-fluoro-2-methyl-5-nitrobenzamide
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2-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(4-methoxycyclohexyl)-4-methylbenzamide?
The IUPAC name of 2,5-difluoro-N-(4-methoxycyclohexyl)-4-methylbenzamide (CID 136547195) is 2,5-difluoro-N-(4-methoxycyclohexyl)-4-methylbenzamide.
What is the SMILES notation for 2,5-difluoro-N-(4-methoxycyclohexyl)-4-methylbenzamide?
The canonical SMILES for 2,5-difluoro-N-(4-methoxycyclohexyl)-4-methylbenzamide is COC1CCC(NC(=O)c2cc(F)c(C)cc2F)CC1.
What is the InChIKey of 2,5-difluoro-N-(4-methoxycyclohexyl)-4-methylbenzamide?
The InChIKey is YXDFWRSJSCTWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-9-7-14(17)12(8-13(9)16)15(19)18-10-3-5-11(20-2)6-4-10/h7-8,10-11H,3-6H2,1-2H3,(H,18,19).
What are the key properties of 2,5-difluoro-N-(4-methoxycyclohexyl)-4-methylbenzamide?
2,5-difluoro-N-(4-methoxycyclohexyl)-4-methylbenzamide has a molecular weight of 283.32 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-(4-methoxycyclohexyl)-4-methylbenzamide is sourced from PubChem (CID 136547195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).