2-oxo-N-(2,3,4-trifluorophenyl)-1,3-dihydroindole-5-carboxamide

C15H9F3N2O2 — CID 110700473

IUPAC2-oxo-N-(2,3,4-trifluorophenyl)-1,3-dihydroindole-5-carboxamide
SMILESO=C1Cc2cc(C(=O)Nc3ccc(F)c(F)c3F)ccc2N1
InChIInChI=1S/C15H9F3N2O2/c16-9-2-4-11(14(18)13(9)17)20-15(22)7-1-3-10-8(5-7)6-12(21)19-10/h1-5H,6H2,(H,19,21)(H,20,22)
InChIKeyTTXCHWZHYXNTRY-UHFFFAOYSA-N
MW306.24 g/mol
LogP2.85
Rot. Bonds2

About 2-oxo-N-(2,3,4-trifluorophenyl)-1,3-dihydroindole-5-carboxamide

2-oxo-N-(2,3,4-trifluorophenyl)-1,3-dihydroindole-5-carboxamide (PubChem CID 110700473) has the molecular formula C15H9F3N2O2 and a molecular weight of 306.24 g/mol. Its IUPAC name is 2-oxo-N-(2,3,4-trifluorophenyl)-1,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(2,3,4-trifluorophenyl)-1,3-dihydroindole-5-carboxamide
PubChem CID110700473
Molecular FormulaC15H9F3N2O2
Molecular Weight306.24 g/mol
Exact Mass306.06
IUPAC Name2-oxo-N-(2,3,4-trifluorophenyl)-1,3-dihydroindole-5-carboxamide
SMILESO=C1Cc2cc(C(=O)Nc3ccc(F)c(F)c3F)ccc2N1
InChIInChI=1S/C15H9F3N2O2/c16-9-2-4-11(14(18)13(9)17)20-15(22)7-1-3-10-8(5-7)6-12(21)19-10/h1-5H,6H2,(H,19,21)(H,20,22)
InChIKeyTTXCHWZHYXNTRY-UHFFFAOYSA-N
XLogP2.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 52.85
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

N-(3,4-difluorophenyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 110700475
2-(2-oxo-1,3-dihydroindol-5-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 110768234
N-(2,3,4-trifluorophenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43325563
methyl 4-chloro-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]benzoate
CID 110700432
N-(3,5-dimethylphenyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 110700387
N-(3-bromo-4-pyridinyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103874392
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 120881042
N-(5-amino-2-pyridinyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 115273678
3-fluoro-4-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 26690686
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 167928666
3-amino-4-chloro-N-(2,3,4-trifluorophenyl)benzamide
CID 28722870
N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 18765684

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(2,3,4-trifluorophenyl)-1,3-dihydroindole-5-carboxamide?
The IUPAC name of 2-oxo-N-(2,3,4-trifluorophenyl)-1,3-dihydroindole-5-carboxamide (CID 110700473) is 2-oxo-N-(2,3,4-trifluorophenyl)-1,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 2-oxo-N-(2,3,4-trifluorophenyl)-1,3-dihydroindole-5-carboxamide?
The canonical SMILES for 2-oxo-N-(2,3,4-trifluorophenyl)-1,3-dihydroindole-5-carboxamide is O=C1Cc2cc(C(=O)Nc3ccc(F)c(F)c3F)ccc2N1.
What is the InChIKey of 2-oxo-N-(2,3,4-trifluorophenyl)-1,3-dihydroindole-5-carboxamide?
The InChIKey is TTXCHWZHYXNTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O2/c16-9-2-4-11(14(18)13(9)17)20-15(22)7-1-3-10-8(5-7)6-12(21)19-10/h1-5H,6H2,(H,19,21)(H,20,22).
What are the key properties of 2-oxo-N-(2,3,4-trifluorophenyl)-1,3-dihydroindole-5-carboxamide?
2-oxo-N-(2,3,4-trifluorophenyl)-1,3-dihydroindole-5-carboxamide has a molecular weight of 306.24 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(2,3,4-trifluorophenyl)-1,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 110700473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).