2,3,4-trifluoro-N-(2-methylpiperidin-3-yl)benzamide

C13H15F3N2O — CID 79749777

IUPAC2,3,4-trifluoro-N-(2-methylpiperidin-3-yl)benzamide
SMILESCC1NCCCC1NC(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H15F3N2O/c1-7-10(3-2-6-17-7)18-13(19)8-4-5-9(14)12(16)11(8)15/h4-5,7,10,17H,2-3,6H2,1H3,(H,18,19)
InChIKeyHSIKYTHLJKUCGT-UHFFFAOYSA-N
MW272.27 g/mol
LogP1.97
Rot. Bonds2

About 2,3,4-trifluoro-N-(2-methylpiperidin-3-yl)benzamide

2,3,4-trifluoro-N-(2-methylpiperidin-3-yl)benzamide (PubChem CID 79749777) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-(2-methylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-(2-methylpiperidin-3-yl)benzamide
PubChem CID79749777
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name2,3,4-trifluoro-N-(2-methylpiperidin-3-yl)benzamide
SMILESCC1NCCCC1NC(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H15F3N2O/c1-7-10(3-2-6-17-7)18-13(19)8-4-5-9(14)12(16)11(8)15/h4-5,7,10,17H,2-3,6H2,1H3,(H,18,19)
InChIKeyHSIKYTHLJKUCGT-UHFFFAOYSA-N
XLogP1.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 51.97
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

5-bromo-2-fluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 114694893
2-bromo-4-chloro-N-(2-methylpiperidin-3-yl)benzamide
CID 106813439
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 79886711
2,4-dichloro-5-fluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 120575501
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556103
2-(2,3-difluorophenyl)-N-[(2S,3R)-2-methylpiperidin-3-yl]acetamide
CID 124517154
5-chloro-2-iodo-N-(2-methylpiperidin-3-yl)benzamide
CID 106813444
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
2-fluoro-4,5-dimethoxy-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120576347
4-bromo-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 114695015
2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzamide
CID 79749208
2-(4-fluorobenzoyl)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120575467

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-(2-methylpiperidin-3-yl)benzamide?
The IUPAC name of 2,3,4-trifluoro-N-(2-methylpiperidin-3-yl)benzamide (CID 79749777) is 2,3,4-trifluoro-N-(2-methylpiperidin-3-yl)benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-(2-methylpiperidin-3-yl)benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-(2-methylpiperidin-3-yl)benzamide is CC1NCCCC1NC(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-(2-methylpiperidin-3-yl)benzamide?
The InChIKey is HSIKYTHLJKUCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c1-7-10(3-2-6-17-7)18-13(19)8-4-5-9(14)12(16)11(8)15/h4-5,7,10,17H,2-3,6H2,1H3,(H,18,19).
What are the key properties of 2,3,4-trifluoro-N-(2-methylpiperidin-3-yl)benzamide?
2,3,4-trifluoro-N-(2-methylpiperidin-3-yl)benzamide has a molecular weight of 272.27 g/mol, XLogP of 1.97, 2 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-methylpiperidin-3-yl)benzamide is sourced from PubChem (CID 79749777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).