5-chloro-2-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide

C15H19ClF2N2O2 — CID 119556038

IUPAC5-chloro-2-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide
SMILESO=C(NCCC1CCCNC1)c1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C15H19ClF2N2O2/c16-11-3-4-13(22-15(17)18)12(8-11)14(21)20-7-5-10-2-1-6-19-9-10/h3-4,8,10,15,19H,1-2,5-7,9H2,(H,20,21)
InChIKeyTYKNNAOIRZIXRS-UHFFFAOYSA-N
MW332.78 g/mol
LogP3.06
Rot. Bonds6

About 5-chloro-2-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide

5-chloro-2-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide (PubChem CID 119556038) has the molecular formula C15H19ClF2N2O2 and a molecular weight of 332.78 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide
PubChem CID119556038
Molecular FormulaC15H19ClF2N2O2
Molecular Weight332.78 g/mol
Exact Mass332.11
IUPAC Name5-chloro-2-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide
SMILESO=C(NCCC1CCCNC1)c1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C15H19ClF2N2O2/c16-11-3-4-13(22-15(17)18)12(8-11)14(21)20-7-5-10-2-1-6-19-9-10/h3-4,8,10,15,19H,1-2,5-7,9H2,(H,20,21)
InChIKeyTYKNNAOIRZIXRS-UHFFFAOYSA-N
XLogP3.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.78
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555759
2,3,4-trifluoro-N-(2-piperidin-3-ylethyl)benzamide
CID 79749359
5-chloro-2-(difluoromethoxy)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119386862
3-chloro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628186
4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63630238
5-fluoro-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 55144401
2-fluoro-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555478
5-chloro-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 82883859
3-(difluoromethoxy)-4-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119534962
2,6-difluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554934
2-chloro-6-fluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119559044
4-chloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzamide
CID 107990343

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide?
The IUPAC name of 5-chloro-2-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide (CID 119556038) is 5-chloro-2-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide.
What is the SMILES notation for 5-chloro-2-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide?
The canonical SMILES for 5-chloro-2-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide is O=C(NCCC1CCCNC1)c1cc(Cl)ccc1OC(F)F.
What is the InChIKey of 5-chloro-2-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide?
The InChIKey is TYKNNAOIRZIXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF2N2O2/c16-11-3-4-13(22-15(17)18)12(8-11)14(21)20-7-5-10-2-1-6-19-9-10/h3-4,8,10,15,19H,1-2,5-7,9H2,(H,20,21).
What are the key properties of 5-chloro-2-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide?
5-chloro-2-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide has a molecular weight of 332.78 g/mol, XLogP of 3.06, 6 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-(2-piperidin-3-ylethyl)benzamide is sourced from PubChem (CID 119556038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).