2,3,4,5-tetrafluoro-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide

C20H18F4N2O2 — CID 71890005

IUPAC2,3,4,5-tetrafluoro-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
SMILESCC1CCN(C(=O)c2ccccc2NC(=O)c2cc(F)c(F)c(F)c2F)CC1
InChIInChI=1S/C20H18F4N2O2/c1-11-6-8-26(9-7-11)20(28)12-4-2-3-5-15(12)25-19(27)13-10-14(21)17(23)18(24)16(13)22/h2-5,10-11H,6-9H2,1H3,(H,25,27)
InChIKeyYWGGPLRGTZKREG-UHFFFAOYSA-N
MW394.37 g/mol
LogP4.37
Rot. Bonds3

About 2,3,4,5-tetrafluoro-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide

2,3,4,5-tetrafluoro-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide (PubChem CID 71890005) has the molecular formula C20H18F4N2O2 and a molecular weight of 394.37 g/mol. Its IUPAC name is 2,3,4,5-tetrafluoro-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name2,3,4,5-tetrafluoro-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
PubChem CID71890005
Molecular FormulaC20H18F4N2O2
Molecular Weight394.37 g/mol
Exact Mass394.13
IUPAC Name2,3,4,5-tetrafluoro-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
SMILESCC1CCN(C(=O)c2ccccc2NC(=O)c2cc(F)c(F)c(F)c2F)CC1
InChIInChI=1S/C20H18F4N2O2/c1-11-6-8-26(9-7-11)20(28)12-4-2-3-5-15(12)25-19(27)13-10-14(21)17(23)18(24)16(13)22/h2-5,10-11H,6-9H2,1H3,(H,25,27)
InChIKeyYWGGPLRGTZKREG-UHFFFAOYSA-N
XLogP4.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.37
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 566959
[2-(4-methylpiperidine-1-carbonyl)phenyl]thiourea
CID 169356775
2-chloro-N-[4-iodo-2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 1289850
2-butoxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 4941081
N-(2-benzoylphenyl)-2,3,4,5-tetrafluorobenzamide
CID 4027115
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 4939416
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-nitrobenzamide
CID 4939305
2-[2-(4-methylpiperidine-1-carbonyl)anilino]ethene-1,1,2-tricarbonitrile
CID 168607156
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-2,2-diphenylacetamide
CID 4939344
1-[2-[(5-chloro-2-fluorobenzoyl)amino]benzoyl]piperidine-4-carboxamide
CID 55642498
2-(3-methylbutoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 4943602
3-(azepan-1-ylsulfonyl)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 15996952

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrafluoro-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 2,3,4,5-tetrafluoro-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide (CID 71890005) is 2,3,4,5-tetrafluoro-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 2,3,4,5-tetrafluoro-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 2,3,4,5-tetrafluoro-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide is CC1CCN(C(=O)c2ccccc2NC(=O)c2cc(F)c(F)c(F)c2F)CC1.
What is the InChIKey of 2,3,4,5-tetrafluoro-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
The InChIKey is YWGGPLRGTZKREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4N2O2/c1-11-6-8-26(9-7-11)20(28)12-4-2-3-5-15(12)25-19(27)13-10-14(21)17(23)18(24)16(13)22/h2-5,10-11H,6-9H2,1H3,(H,25,27).
What are the key properties of 2,3,4,5-tetrafluoro-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
2,3,4,5-tetrafluoro-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide has a molecular weight of 394.37 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluoro-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 71890005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).