2,4-difluoro-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride

C13H17ClF2N2O — CID 120567147

IUPAC2,4-difluoro-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride
SMILESCC1(NC(=O)c2ccc(F)cc2F)CCNCC1.Cl
InChIInChI=1S/C13H16F2N2O.ClH/c1-13(4-6-16-7-5-13)17-12(18)10-3-2-9(14)8-11(10)15;/h2-3,8,16H,4-7H2,1H3,(H,17,18);1H
InChIKeyGAQNHVIXAAYHJD-UHFFFAOYSA-N
MW290.74 g/mol
LogP2.26
Rot. Bonds2

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

2,4-difluoro-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride (PubChem CID 120567147) has the molecular formula C13H17ClF2N2O and a molecular weight of 290.74 g/mol. Its IUPAC name is 2,4-difluoro-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name2,4-difluoro-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride
PubChem CID120567147
Molecular FormulaC13H17ClF2N2O
Molecular Weight290.74 g/mol
Exact Mass290.10
IUPAC Name2,4-difluoro-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride
SMILESCC1(NC(=O)c2ccc(F)cc2F)CCNCC1.Cl
InChIInChI=1S/C13H16F2N2O.ClH/c1-13(4-6-16-7-5-13)17-12(18)10-3-2-9(14)8-11(10)15;/h2-3,8,16H,4-7H2,1H3,(H,17,18);1H
InChIKeyGAQNHVIXAAYHJD-UHFFFAOYSA-N
XLogP2.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.74
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120567340
1-(2,4-difluorophenyl)-3-(4-methylpiperidin-4-yl)urea
CID 114696666
4-bromo-2-methyl-N-(4-methylpiperidin-4-yl)benzamide
CID 114696498
5-fluoro-2-hydroxy-N-(1-methylcyclopropyl)benzamide
CID 115883770
3-chloro-2-fluoro-N-(4-methylpiperidin-4-yl)benzamide
CID 114696417
1-[(2,4-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43329545
2-bromo-4-fluoro-N-(4-methyloxan-4-yl)benzamide
CID 113322134
1-[(2,4-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 24708713
N-(1-carbamothioyl-4-methylcyclohexyl)-2,4-difluorobenzamide
CID 61121738
2-bromo-5-fluoro-N-(1-methylcyclohexyl)benzamide
CID 61217018
2-hydroxy-3-methoxy-N-(4-methylpiperidin-4-yl)benzamide
CID 114696306
2,4-difluoro-N-[(3R,4R)-4-methylpiperidin-3-yl]benzamide
CID 95401781

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride?
The IUPAC name of 2,4-difluoro-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride (CID 120567147) is 2,4-difluoro-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride.
What is the SMILES notation for 2,4-difluoro-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride?
The canonical SMILES for 2,4-difluoro-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride is CC1(NC(=O)c2ccc(F)cc2F)CCNCC1.Cl.
What is the InChIKey of 2,4-difluoro-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride?
The InChIKey is GAQNHVIXAAYHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O.ClH/c1-13(4-6-16-7-5-13)17-12(18)10-3-2-9(14)8-11(10)15;/h2-3,8,16H,4-7H2,1H3,(H,17,18);1H.
What are the key properties of 2,4-difluoro-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride?
2,4-difluoro-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride has a molecular weight of 290.74 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride is sourced from PubChem (CID 120567147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).