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

C13H15F3N2O — CID 79749991

IUPAC2,3,4-trifluoro-N-(piperidin-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCCN1)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H15F3N2O/c14-10-5-4-9(11(15)12(10)16)13(19)18-7-8-3-1-2-6-17-8/h4-5,8,17H,1-3,6-7H2,(H,18,19)
InChIKeyHELAKDYKAKCGDY-UHFFFAOYSA-N
MW272.27 g/mol
LogP1.98
Rot. Bonds3

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

2,3,4-trifluoro-N-(piperidin-2-ylmethyl)benzamide (PubChem CID 79749991) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-(piperidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-(piperidin-2-ylmethyl)benzamide
PubChem CID79749991
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name2,3,4-trifluoro-N-(piperidin-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCCN1)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H15F3N2O/c14-10-5-4-9(11(15)12(10)16)13(19)18-7-8-3-1-2-6-17-8/h4-5,8,17H,1-3,6-7H2,(H,18,19)
InChIKeyHELAKDYKAKCGDY-UHFFFAOYSA-N
XLogP1.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 51.98
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-(2-piperidin-2-ylethyl)benzamide
CID 79749077
2-fluoro-4-methyl-N-(piperidin-2-ylmethyl)benzamide;hydrochloride
CID 84586603
2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62542167
N-[(2-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide
CID 79756556
2,3,4-trifluoro-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564595
5-fluoro-2-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 55182007
2,3,4-trifluoro-N-(piperidin-2-ylmethyl)aniline
CID 106632842
2-bromo-4-chloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 103806355
1-hydroxy-N-(piperidin-2-ylmethyl)naphthalene-2-carboxamide
CID 43185174
N-[(4-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide
CID 106124628
4,5-difluoro-2-iodo-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119510965
N-[[2-(bromomethyl)cyclopentyl]methyl]-2,3,4-trifluorobenzamide
CID 114317137

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-(piperidin-2-ylmethyl)benzamide?
The IUPAC name of 2,3,4-trifluoro-N-(piperidin-2-ylmethyl)benzamide (CID 79749991) is 2,3,4-trifluoro-N-(piperidin-2-ylmethyl)benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-(piperidin-2-ylmethyl)benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-(piperidin-2-ylmethyl)benzamide is O=C(NCC1CCCCN1)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-(piperidin-2-ylmethyl)benzamide?
The InChIKey is HELAKDYKAKCGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c14-10-5-4-9(11(15)12(10)16)13(19)18-7-8-3-1-2-6-17-8/h4-5,8,17H,1-3,6-7H2,(H,18,19).
What are the key properties of 2,3,4-trifluoro-N-(piperidin-2-ylmethyl)benzamide?
2,3,4-trifluoro-N-(piperidin-2-ylmethyl)benzamide has a molecular weight of 272.27 g/mol, XLogP of 1.98, 3 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-(piperidin-2-ylmethyl)benzamide is sourced from PubChem (CID 79749991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).