3-(1,1-difluoroethyl)-5-fluoro-N-(3-piperidin-1-ylpropyl)benzamide

C17H23F3N2O — CID 143176302

IUPAC3-(1,1-difluoroethyl)-5-fluoro-N-(3-piperidin-1-ylpropyl)benzamide
SMILESCC(F)(F)c1cc(F)cc(C(=O)NCCCN2CCCCC2)c1
InChIInChI=1S/C17H23F3N2O/c1-17(19,20)14-10-13(11-15(18)12-14)16(23)21-6-5-9-22-7-3-2-4-8-22/h10-12H,2-9H2,1H3,(H,21,23)
InChIKeyNYSCMTQUPIFGDW-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.54
Rot. Bonds6

About 3-(1,1-difluoroethyl)-5-fluoro-N-(3-piperidin-1-ylpropyl)benzamide

3-(1,1-difluoroethyl)-5-fluoro-N-(3-piperidin-1-ylpropyl)benzamide (PubChem CID 143176302) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-5-fluoro-N-(3-piperidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-5-fluoro-N-(3-piperidin-1-ylpropyl)benzamide
PubChem CID143176302
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC Name3-(1,1-difluoroethyl)-5-fluoro-N-(3-piperidin-1-ylpropyl)benzamide
SMILESCC(F)(F)c1cc(F)cc(C(=O)NCCCN2CCCCC2)c1
InChIInChI=1S/C17H23F3N2O/c1-17(19,20)14-10-13(11-15(18)12-14)16(23)21-6-5-9-22-7-3-2-4-8-22/h10-12H,2-9H2,1H3,(H,21,23)
InChIKeyNYSCMTQUPIFGDW-UHFFFAOYSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 142245309
3,5-dibromo-N-(3-piperidin-1-ylpropyl)benzamide
CID 107980133
N-[5-(azepan-1-yl)pentyl]-3,5-dimethoxybenzamide
CID 110444718
3-fluoro-N-hexadecyl-5-(trifluoromethyl)benzamide
CID 91731345
N-[3-(azepan-1-yl)propyl]-4-(tert-butylsulfamoyl)benzamide
CID 30942643
4-amino-3-fluoro-N-(3-piperidin-1-ylpropyl)benzamide
CID 62682209
3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 11543475
2-bromo-4-fluoro-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 60668704
4-ethyl-2-fluoro-N-(3-piperidin-1-ylpropyl)benzamide
CID 123849951
4-(dimethylamino)-N-(4-piperidin-1-ylbutyl)benzamide
CID 110444431
5-hydroxy-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 55258279
4-bromo-3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 115769516

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-5-fluoro-N-(3-piperidin-1-ylpropyl)benzamide?
The IUPAC name of 3-(1,1-difluoroethyl)-5-fluoro-N-(3-piperidin-1-ylpropyl)benzamide (CID 143176302) is 3-(1,1-difluoroethyl)-5-fluoro-N-(3-piperidin-1-ylpropyl)benzamide.
What is the SMILES notation for 3-(1,1-difluoroethyl)-5-fluoro-N-(3-piperidin-1-ylpropyl)benzamide?
The canonical SMILES for 3-(1,1-difluoroethyl)-5-fluoro-N-(3-piperidin-1-ylpropyl)benzamide is CC(F)(F)c1cc(F)cc(C(=O)NCCCN2CCCCC2)c1.
What is the InChIKey of 3-(1,1-difluoroethyl)-5-fluoro-N-(3-piperidin-1-ylpropyl)benzamide?
The InChIKey is NYSCMTQUPIFGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O/c1-17(19,20)14-10-13(11-15(18)12-14)16(23)21-6-5-9-22-7-3-2-4-8-22/h10-12H,2-9H2,1H3,(H,21,23).
What are the key properties of 3-(1,1-difluoroethyl)-5-fluoro-N-(3-piperidin-1-ylpropyl)benzamide?
3-(1,1-difluoroethyl)-5-fluoro-N-(3-piperidin-1-ylpropyl)benzamide has a molecular weight of 328.38 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-5-fluoro-N-(3-piperidin-1-ylpropyl)benzamide is sourced from PubChem (CID 143176302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).