2,3-difluoro-N-piperidin-3-ylbenzamide;hydrochloride

C12H15ClF2N2O — CID 119428838

IUPAC2,3-difluoro-N-piperidin-3-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCCNC1)c1cccc(F)c1F
InChIInChI=1S/C12H14F2N2O.ClH/c13-10-5-1-4-9(11(10)14)12(17)16-8-3-2-6-15-7-8;/h1,4-5,8,15H,2-3,6-7H2,(H,16,17);1H
InChIKeyFEDUHNMJEBZQGE-UHFFFAOYSA-N
MW276.71 g/mol
LogP1.87
Rot. Bonds2

About 2,3-difluoro-N-piperidin-3-ylbenzamide;hydrochloride

2,3-difluoro-N-piperidin-3-ylbenzamide;hydrochloride (PubChem CID 119428838) has the molecular formula C12H15ClF2N2O and a molecular weight of 276.71 g/mol. Its IUPAC name is 2,3-difluoro-N-piperidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name2,3-difluoro-N-piperidin-3-ylbenzamide;hydrochloride
PubChem CID119428838
Molecular FormulaC12H15ClF2N2O
Molecular Weight276.71 g/mol
Exact Mass276.08
IUPAC Name2,3-difluoro-N-piperidin-3-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCCNC1)c1cccc(F)c1F
InChIInChI=1S/C12H14F2N2O.ClH/c13-10-5-1-4-9(11(10)14)12(17)16-8-3-2-6-15-7-8;/h1,4-5,8,15H,2-3,6-7H2,(H,16,17);1H
InChIKeyFEDUHNMJEBZQGE-UHFFFAOYSA-N
XLogP1.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.71
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 107956133
2,3,4-trifluoro-N-pyrrolidin-3-ylbenzamide;hydrochloride
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2-fluoro-6-hydroxy-N-[(3S)-piperidin-3-yl]benzamide
CID 107016089
2,3-dihydroxy-N-piperidin-3-ylbenzamide
CID 114343480
2-[(2-fluorobenzoyl)amino]-3-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119429147
2,3,4-trifluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79749815
2-chloro-3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 81461356
3-chloro-2-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 81265233
N-cyclopropyl-2,3-difluorobenzamide
CID 62648987
2,3-difluoro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119474254
1-(2,6-difluorophenyl)-3-[(3R)-piperidin-3-yl]urea;hydrochloride
CID 165430557
3,4,5-trifluoro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119429053

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-piperidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 2,3-difluoro-N-piperidin-3-ylbenzamide;hydrochloride (CID 119428838) is 2,3-difluoro-N-piperidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 2,3-difluoro-N-piperidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 2,3-difluoro-N-piperidin-3-ylbenzamide;hydrochloride is Cl.O=C(NC1CCCNC1)c1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-piperidin-3-ylbenzamide;hydrochloride?
The InChIKey is FEDUHNMJEBZQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O.ClH/c13-10-5-1-4-9(11(10)14)12(17)16-8-3-2-6-15-7-8;/h1,4-5,8,15H,2-3,6-7H2,(H,16,17);1H.
What are the key properties of 2,3-difluoro-N-piperidin-3-ylbenzamide;hydrochloride?
2,3-difluoro-N-piperidin-3-ylbenzamide;hydrochloride has a molecular weight of 276.71 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-piperidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119428838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).