2,3,4-trifluoro-N-(2-piperidin-2-ylethyl)benzamide

C14H17F3N2O — CID 79749077

IUPAC2,3,4-trifluoro-N-(2-piperidin-2-ylethyl)benzamide
SMILESO=C(NCCC1CCCCN1)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H17F3N2O/c15-11-5-4-10(12(16)13(11)17)14(20)19-8-6-9-3-1-2-7-18-9/h4-5,9,18H,1-3,6-8H2,(H,19,20)
InChIKeyQNRBRTJRYUJWAH-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.37
Rot. Bonds4

About 2,3,4-trifluoro-N-(2-piperidin-2-ylethyl)benzamide

2,3,4-trifluoro-N-(2-piperidin-2-ylethyl)benzamide (PubChem CID 79749077) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-(2-piperidin-2-ylethyl)benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-(2-piperidin-2-ylethyl)benzamide
PubChem CID79749077
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name2,3,4-trifluoro-N-(2-piperidin-2-ylethyl)benzamide
SMILESO=C(NCCC1CCCCN1)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H17F3N2O/c15-11-5-4-10(12(16)13(11)17)14(20)19-8-6-9-3-1-2-7-18-9/h4-5,9,18H,1-3,6-8H2,(H,19,20)
InChIKeyQNRBRTJRYUJWAH-UHFFFAOYSA-N
XLogP2.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,3,4-trifluoro-N-(piperidin-2-ylmethyl)benzamide
CID 79749991
5-chloro-2-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971959
5-chloro-2-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
CID 104955212
2,6-difluoro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793746
5-bromo-2-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104972072
2,3,4-trifluoro-N-(2-piperidin-3-ylethyl)benzamide
CID 79749359
2-(4-fluorophenyl)-N-(2-piperidin-2-ylethyl)acetamide
CID 24704522
2-(2,6-difluorophenyl)-N-(2-pyrrolidin-2-ylethyl)acetamide
CID 114793681
2-fluoro-5-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971818
5-fluoro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793819
2,4-dihydroxy-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793797
2-ethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793888

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-(2-piperidin-2-ylethyl)benzamide?
The IUPAC name of 2,3,4-trifluoro-N-(2-piperidin-2-ylethyl)benzamide (CID 79749077) is 2,3,4-trifluoro-N-(2-piperidin-2-ylethyl)benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-(2-piperidin-2-ylethyl)benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-(2-piperidin-2-ylethyl)benzamide is O=C(NCCC1CCCCN1)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-(2-piperidin-2-ylethyl)benzamide?
The InChIKey is QNRBRTJRYUJWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c15-11-5-4-10(12(16)13(11)17)14(20)19-8-6-9-3-1-2-7-18-9/h4-5,9,18H,1-3,6-8H2,(H,19,20).
What are the key properties of 2,3,4-trifluoro-N-(2-piperidin-2-ylethyl)benzamide?
2,3,4-trifluoro-N-(2-piperidin-2-ylethyl)benzamide has a molecular weight of 286.30 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-(2-piperidin-2-ylethyl)benzamide is sourced from PubChem (CID 79749077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).