5-chloro-2-(difluoromethoxy)-N-piperidin-4-ylbenzamide;hydrochloride

C13H16Cl2F2N2O2 — CID 119386862

IUPAC5-chloro-2-(difluoromethoxy)-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCNCC1)c1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C13H15ClF2N2O2.ClH/c14-8-1-2-11(20-13(15)16)10(7-8)12(19)18-9-3-5-17-6-4-9;/h1-2,7,9,13,17H,3-6H2,(H,18,19);1H
InChIKeyIVHHOGHXOWUBRS-UHFFFAOYSA-N
MW341.19 g/mol
LogP2.85
Rot. Bonds4

About 5-chloro-2-(difluoromethoxy)-N-piperidin-4-ylbenzamide;hydrochloride

5-chloro-2-(difluoromethoxy)-N-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 119386862) has the molecular formula C13H16Cl2F2N2O2 and a molecular weight of 341.19 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethoxy)-N-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-2-(difluoromethoxy)-N-piperidin-4-ylbenzamide;hydrochloride
PubChem CID119386862
Molecular FormulaC13H16Cl2F2N2O2
Molecular Weight341.19 g/mol
Exact Mass340.06
IUPAC Name5-chloro-2-(difluoromethoxy)-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCNCC1)c1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C13H15ClF2N2O2.ClH/c14-8-1-2-11(20-13(15)16)10(7-8)12(19)18-9-3-5-17-6-4-9;/h1-2,7,9,13,17H,3-6H2,(H,18,19);1H
InChIKeyIVHHOGHXOWUBRS-UHFFFAOYSA-N
XLogP2.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethoxy)-N-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of 5-chloro-2-(difluoromethoxy)-N-piperidin-4-ylbenzamide;hydrochloride (CID 119386862) is 5-chloro-2-(difluoromethoxy)-N-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 5-chloro-2-(difluoromethoxy)-N-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for 5-chloro-2-(difluoromethoxy)-N-piperidin-4-ylbenzamide;hydrochloride is Cl.O=C(NC1CCNCC1)c1cc(Cl)ccc1OC(F)F.
What is the InChIKey of 5-chloro-2-(difluoromethoxy)-N-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is IVHHOGHXOWUBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF2N2O2.ClH/c14-8-1-2-11(20-13(15)16)10(7-8)12(19)18-9-3-5-17-6-4-9;/h1-2,7,9,13,17H,3-6H2,(H,18,19);1H.
What are the key properties of 5-chloro-2-(difluoromethoxy)-N-piperidin-4-ylbenzamide;hydrochloride?
5-chloro-2-(difluoromethoxy)-N-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 341.19 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(difluoromethoxy)-N-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 119386862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).