2,3,4-trifluoro-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide

C19H17F3N2O2 — CID 110358449

IUPAC2,3,4-trifluoro-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide
SMILESCC(C)C(=O)N1CCc2cc(NC(=O)c3ccc(F)c(F)c3F)ccc21
InChIInChI=1S/C19H17F3N2O2/c1-10(2)19(26)24-8-7-11-9-12(3-6-15(11)24)23-18(25)13-4-5-14(20)17(22)16(13)21/h3-6,9-10H,7-8H2,1-2H3,(H,23,25)
InChIKeyZNVGVOUOKGCADI-UHFFFAOYSA-N
MW362.35 g/mol
LogP3.90
Rot. Bonds3

About 2,3,4-trifluoro-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide

2,3,4-trifluoro-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide (PubChem CID 110358449) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide
PubChem CID110358449
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC Name2,3,4-trifluoro-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide
SMILESCC(C)C(=O)N1CCc2cc(NC(=O)c3ccc(F)c(F)c3F)ccc21
InChIInChI=1S/C19H17F3N2O2/c1-10(2)19(26)24-8-7-11-9-12(3-6-15(11)24)23-18(25)13-4-5-14(20)17(22)16(13)21/h3-6,9-10H,7-8H2,1-2H3,(H,23,25)
InChIKeyZNVGVOUOKGCADI-UHFFFAOYSA-N
XLogP3.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 53.90
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

1-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-3-phenylurea
CID 110358442
3-bromo-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide
CID 110358428
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 7656757
3,4-difluoro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517474
3,4-dichloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 7498736
1-[(4-fluorophenyl)methyl]-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]urea
CID 30373655
2-methyl-1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 110713868
methyl 1-(2-methylpropanoyl)-2,3-dihydroindole-5-carboxylate
CID 86917334
4-(2-chlorophenyl)-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-4-oxobutanamide
CID 110609573
N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-4-phenoxybutanamide
CID 110358439
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]cyclopentanecarboxamide
CID 7656708
N-(1-acetyl-2,3-dihydroindol-5-yl)-2,4-dimethylbenzamide
CID 42424076

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide (CID 110358449) is 2,3,4-trifluoro-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide is CC(C)C(=O)N1CCc2cc(NC(=O)c3ccc(F)c(F)c3F)ccc21.
What is the InChIKey of 2,3,4-trifluoro-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide?
The InChIKey is ZNVGVOUOKGCADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c1-10(2)19(26)24-8-7-11-9-12(3-6-15(11)24)23-18(25)13-4-5-14(20)17(22)16(13)21/h3-6,9-10H,7-8H2,1-2H3,(H,23,25).
What are the key properties of 2,3,4-trifluoro-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide?
2,3,4-trifluoro-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide has a molecular weight of 362.35 g/mol, XLogP of 3.90, 3 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-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide is sourced from PubChem (CID 110358449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).