2-chloro-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride

C12H15Cl2FN2O — CID 119388266

IUPAC2-chloro-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCNCC1)c1cccc(F)c1Cl
InChIInChI=1S/C12H14ClFN2O.ClH/c13-11-9(2-1-3-10(11)14)12(17)16-8-4-6-15-7-5-8;/h1-3,8,15H,4-7H2,(H,16,17);1H
InChIKeyGGXWUNNCHIAORV-UHFFFAOYSA-N
MW293.17 g/mol
LogP2.38
Rot. Bonds2

About 2-chloro-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride

2-chloro-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 119388266) has the molecular formula C12H15Cl2FN2O and a molecular weight of 293.17 g/mol. Its IUPAC name is 2-chloro-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
PubChem CID119388266
Molecular FormulaC12H15Cl2FN2O
Molecular Weight293.17 g/mol
Exact Mass292.05
IUPAC Name2-chloro-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCNCC1)c1cccc(F)c1Cl
InChIInChI=1S/C12H14ClFN2O.ClH/c13-11-9(2-1-3-10(11)14)12(17)16-8-4-6-15-7-5-8;/h1-3,8,15H,4-7H2,(H,16,17);1H
InChIKeyGGXWUNNCHIAORV-UHFFFAOYSA-N
XLogP2.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 81461356
2,6-difluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385702
(2-chloro-3-fluorophenyl)-piperidin-4-ylmethanone;hydrochloride
CID 90038201
2-fluoro-3-methyl-N-piperidin-4-ylbenzamide
CID 81459818
2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79688100
2-chloro-4,5-difluoro-N-piperidin-4-ylbenzamide
CID 119388800
2-chloro-3-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide
CID 81454510
3-chloro-2-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 81265233
3-[(2-chloro-3-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 81454437
2,3-difluoro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428838
N-cyclopropyl-2,3-difluorobenzamide
CID 62648987
2,5-dichloro-N-piperidin-4-ylbenzamide
CID 43345741

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of 2-chloro-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride (CID 119388266) is 2-chloro-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 2-chloro-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for 2-chloro-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride is Cl.O=C(NC1CCNCC1)c1cccc(F)c1Cl.
What is the InChIKey of 2-chloro-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is GGXWUNNCHIAORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O.ClH/c13-11-9(2-1-3-10(11)14)12(17)16-8-4-6-15-7-5-8;/h1-3,8,15H,4-7H2,(H,16,17);1H.
What are the key properties of 2-chloro-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride?
2-chloro-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 293.17 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 119388266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).