2,3,4-trifluoro-N-methyl-N-piperidin-4-ylbenzamide

C13H15F3N2O — CID 79750025

IUPAC2,3,4-trifluoro-N-methyl-N-piperidin-4-ylbenzamide
SMILESCN(C(=O)c1ccc(F)c(F)c1F)C1CCNCC1
InChIInChI=1S/C13H15F3N2O/c1-18(8-4-6-17-7-5-8)13(19)9-2-3-10(14)12(16)11(9)15/h2-3,8,17H,4-7H2,1H3
InChIKeyBBBZYPJMAHFMGW-UHFFFAOYSA-N
MW272.27 g/mol
LogP1.93
Rot. Bonds2

About 2,3,4-trifluoro-N-methyl-N-piperidin-4-ylbenzamide

2,3,4-trifluoro-N-methyl-N-piperidin-4-ylbenzamide (PubChem CID 79750025) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-methyl-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-methyl-N-piperidin-4-ylbenzamide
PubChem CID79750025
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name2,3,4-trifluoro-N-methyl-N-piperidin-4-ylbenzamide
SMILESCN(C(=O)c1ccc(F)c(F)c1F)C1CCNCC1
InChIInChI=1S/C13H15F3N2O/c1-18(8-4-6-17-7-5-8)13(19)9-2-3-10(14)12(16)11(9)15/h2-3,8,17H,4-7H2,1H3
InChIKeyBBBZYPJMAHFMGW-UHFFFAOYSA-N
XLogP1.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
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-methyl-N-pyrrolidin-3-ylbenzamide
CID 79749564
2,3-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444296
2,4-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443342
2-fluoro-N,4-dimethyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443710
2,6-difluoro-N,3-dimethyl-N-piperidin-4-ylbenzamide
CID 82816537
2,3-difluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554382
2,4-dichloro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444290
2-chloro-4,5-difluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 119443353
2-fluoro-N-methyl-N-piperidin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 176731051
N-methyl-N-piperidin-4-yl-4-(3,4,5-trifluorophenyl)benzamide
CID 119444616
2-bromo-5-fluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444450
2,4,6-trifluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 65100676

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-methyl-N-piperidin-4-ylbenzamide?
The IUPAC name of 2,3,4-trifluoro-N-methyl-N-piperidin-4-ylbenzamide (CID 79750025) is 2,3,4-trifluoro-N-methyl-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-methyl-N-piperidin-4-ylbenzamide?
The canonical SMILES for 2,3,4-trifluoro-N-methyl-N-piperidin-4-ylbenzamide is CN(C(=O)c1ccc(F)c(F)c1F)C1CCNCC1.
What is the InChIKey of 2,3,4-trifluoro-N-methyl-N-piperidin-4-ylbenzamide?
The InChIKey is BBBZYPJMAHFMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c1-18(8-4-6-17-7-5-8)13(19)9-2-3-10(14)12(16)11(9)15/h2-3,8,17H,4-7H2,1H3.
What are the key properties of 2,3,4-trifluoro-N-methyl-N-piperidin-4-ylbenzamide?
2,3,4-trifluoro-N-methyl-N-piperidin-4-ylbenzamide has a molecular weight of 272.27 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-methyl-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 79750025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).