2,6-difluoro-N-(2-methylpiperidin-4-yl)benzamide

C13H16F2N2O — CID 106995199

IUPAC2,6-difluoro-N-(2-methylpiperidin-4-yl)benzamide
SMILESCC1CC(NC(=O)c2c(F)cccc2F)CCN1
InChIInChI=1S/C13H16F2N2O/c1-8-7-9(5-6-16-8)17-13(18)12-10(14)3-2-4-11(12)15/h2-4,8-9,16H,5-7H2,1H3,(H,17,18)
InChIKeyOPXUUJBTJSVRKE-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.84
Rot. Bonds2

About 2,6-difluoro-N-(2-methylpiperidin-4-yl)benzamide

2,6-difluoro-N-(2-methylpiperidin-4-yl)benzamide (PubChem CID 106995199) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is 2,6-difluoro-N-(2-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(2-methylpiperidin-4-yl)benzamide
PubChem CID106995199
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name2,6-difluoro-N-(2-methylpiperidin-4-yl)benzamide
SMILESCC1CC(NC(=O)c2c(F)cccc2F)CCN1
InChIInChI=1S/C13H16F2N2O/c1-8-7-9(5-6-16-8)17-13(18)12-10(14)3-2-4-11(12)15/h2-4,8-9,16H,5-7H2,1H3,(H,17,18)
InChIKeyOPXUUJBTJSVRKE-UHFFFAOYSA-N
XLogP1.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-difluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385702
2,6-difluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689143
2,6-difluoro-N-(2-methylpiperidin-4-yl)-3-nitrobenzamide
CID 106995174
2-fluoro-6-hydroxy-N-(3-methylcyclohexyl)benzamide
CID 104916812
N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 106995588
4-chloro-3-fluoro-N-(2-methylpiperidin-4-yl)benzamide
CID 107990993
3-[(2-fluoro-6-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 107013675
3-bromo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995558
5-(2-fluorophenyl)-N-(2-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide
CID 120599770
4-acetyl-N-(2-methylpiperidin-4-yl)benzamide
CID 120601544
2-iodo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995591
3-chloro-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120602026

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(2-methylpiperidin-4-yl)benzamide?
The IUPAC name of 2,6-difluoro-N-(2-methylpiperidin-4-yl)benzamide (CID 106995199) is 2,6-difluoro-N-(2-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2,6-difluoro-N-(2-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 2,6-difluoro-N-(2-methylpiperidin-4-yl)benzamide is CC1CC(NC(=O)c2c(F)cccc2F)CCN1.
What is the InChIKey of 2,6-difluoro-N-(2-methylpiperidin-4-yl)benzamide?
The InChIKey is OPXUUJBTJSVRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-8-7-9(5-6-16-8)17-13(18)12-10(14)3-2-4-11(12)15/h2-4,8-9,16H,5-7H2,1H3,(H,17,18).
What are the key properties of 2,6-difluoro-N-(2-methylpiperidin-4-yl)benzamide?
2,6-difluoro-N-(2-methylpiperidin-4-yl)benzamide has a molecular weight of 254.28 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(2-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 106995199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).