2,3-difluoro-N-[(2-methylcyclohexyl)methyl]benzamide

C15H19F2NO — CID 62660422

IUPAC2,3-difluoro-N-[(2-methylcyclohexyl)methyl]benzamide
SMILESCC1CCCCC1CNC(=O)c1cccc(F)c1F
InChIInChI=1S/C15H19F2NO/c1-10-5-2-3-6-11(10)9-18-15(19)12-7-4-8-13(16)14(12)17/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,18,19)
InChIKeyNBEQYQRONSAMID-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.52
Rot. Bonds3

About 2,3-difluoro-N-[(2-methylcyclohexyl)methyl]benzamide

2,3-difluoro-N-[(2-methylcyclohexyl)methyl]benzamide (PubChem CID 62660422) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is 2,3-difluoro-N-[(2-methylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-[(2-methylcyclohexyl)methyl]benzamide
PubChem CID62660422
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC Name2,3-difluoro-N-[(2-methylcyclohexyl)methyl]benzamide
SMILESCC1CCCCC1CNC(=O)c1cccc(F)c1F
InChIInChI=1S/C15H19F2NO/c1-10-5-2-3-6-11(10)9-18-15(19)12-7-4-8-13(16)14(12)17/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,18,19)
InChIKeyNBEQYQRONSAMID-UHFFFAOYSA-N
XLogP3.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-6-hydroxy-N-[(2-methylcyclohexyl)methyl]benzamide
CID 107015192
2-(ethylamino)-3-fluoro-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107420575
N-(cyclopentylmethyl)-2,3-difluorobenzamide
CID 62649354
2-fluoro-5-methyl-N-[(2-methylcyclohexyl)methyl]benzamide
CID 62512195
3-amino-2-chloro-N-[(2-methylcyclohexyl)methyl]benzamide
CID 112575789
2-hydroxy-N-[(2-methylcyclohexyl)methyl]-3-nitrobenzamide
CID 102741652
2-(methylamino)-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107419522
4,5-difluoro-2-[(2-methylcyclopentyl)methylcarbamoyl]benzoic acid
CID 107416687
3-fluoro-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzamide
CID 113464159
N-[(2-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide
CID 79756556
5-fluoro-2-hydroxy-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107418921
N-[(2-methylcyclopentyl)methyl]-1H-indole-4-carboxamide
CID 107420261

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[(2-methylcyclohexyl)methyl]benzamide?
The IUPAC name of 2,3-difluoro-N-[(2-methylcyclohexyl)methyl]benzamide (CID 62660422) is 2,3-difluoro-N-[(2-methylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 2,3-difluoro-N-[(2-methylcyclohexyl)methyl]benzamide?
The canonical SMILES for 2,3-difluoro-N-[(2-methylcyclohexyl)methyl]benzamide is CC1CCCCC1CNC(=O)c1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-[(2-methylcyclohexyl)methyl]benzamide?
The InChIKey is NBEQYQRONSAMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c1-10-5-2-3-6-11(10)9-18-15(19)12-7-4-8-13(16)14(12)17/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,18,19).
What are the key properties of 2,3-difluoro-N-[(2-methylcyclohexyl)methyl]benzamide?
2,3-difluoro-N-[(2-methylcyclohexyl)methyl]benzamide has a molecular weight of 267.32 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[(2-methylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 62660422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).