4-(2,3-dihydroindole-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide

C22H15F3N2O2 — CID 109049568

IUPAC4-(2,3-dihydroindole-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1ccc(C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C22H15F3N2O2/c23-16-9-10-17(20(25)19(16)24)26-21(28)14-5-7-15(8-6-14)22(29)27-12-11-13-3-1-2-4-18(13)27/h1-10H,11-12H2,(H,26,28)
InChIKeyQBMBWMMIUHYUAR-UHFFFAOYSA-N
MW396.37 g/mol
LogP4.56
Rot. Bonds3

About 4-(2,3-dihydroindole-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide

4-(2,3-dihydroindole-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide (PubChem CID 109049568) has the molecular formula C22H15F3N2O2 and a molecular weight of 396.37 g/mol. Its IUPAC name is 4-(2,3-dihydroindole-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide.

Molecular Properties

Compound Name4-(2,3-dihydroindole-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide
PubChem CID109049568
Molecular FormulaC22H15F3N2O2
Molecular Weight396.37 g/mol
Exact Mass396.11
IUPAC Name4-(2,3-dihydroindole-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1ccc(C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C22H15F3N2O2/c23-16-9-10-17(20(25)19(16)24)26-21(28)14-5-7-15(8-6-14)22(29)27-12-11-13-3-1-2-4-18(13)27/h1-10H,11-12H2,(H,26,28)
InChIKeyQBMBWMMIUHYUAR-UHFFFAOYSA-N
XLogP4.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 54.56
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-(2,3-dihydroindole-1-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide
CID 109091631
N-(3,4-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109049570
4-(2,3-dihydroindole-1-carbonyl)-N-(4-fluorophenyl)benzamide
CID 109049539
N-(5-chloro-2-methylphenyl)-4-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109049544
4-(2,3-dihydroindole-1-carbonyl)-N-(2,4-dimethylphenyl)benzamide
CID 109049527
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,3,4-trifluorophenyl)benzamide
CID 75405981
N-(4-acetamidophenyl)-4-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109049557
4-(2,3-dihydroindole-1-carbonyl)-N-[(2-fluorophenyl)methyl]benzamide
CID 109047185
4-(piperidine-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide
CID 109044714
1-N-phenyl-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109049282
2,3-dihydroindol-1-yl-(3-fluoro-4-methylphenyl)methanone
CID 17476941
(3,5-difluorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 4815727

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindole-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide?
The IUPAC name of 4-(2,3-dihydroindole-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide (CID 109049568) is 4-(2,3-dihydroindole-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide.
What is the SMILES notation for 4-(2,3-dihydroindole-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide?
The canonical SMILES for 4-(2,3-dihydroindole-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide is O=C(Nc1ccc(F)c(F)c1F)c1ccc(C(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 4-(2,3-dihydroindole-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide?
The InChIKey is QBMBWMMIUHYUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O2/c23-16-9-10-17(20(25)19(16)24)26-21(28)14-5-7-15(8-6-14)22(29)27-12-11-13-3-1-2-4-18(13)27/h1-10H,11-12H2,(H,26,28).
What are the key properties of 4-(2,3-dihydroindole-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide?
4-(2,3-dihydroindole-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide has a molecular weight of 396.37 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindole-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide is sourced from PubChem (CID 109049568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).