1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-2,3-dihydroindole

C15H10ClF3N2O2 — CID 16553326

IUPAC1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-2,3-dihydroindole
SMILESO=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCc2ccccc21
InChIInChI=1S/C15H10ClF3N2O2/c16-11-8-13(14(21(22)23)7-10(11)15(17,18)19)20-6-5-9-3-1-2-4-12(9)20/h1-4,7-8H,5-6H2
InChIKeyRPTGQBYMDLQQFO-UHFFFAOYSA-N
MW342.70 g/mol
LogP4.96
Rot. Bonds2

About 1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-2,3-dihydroindole

1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-2,3-dihydroindole (PubChem CID 16553326) has the molecular formula C15H10ClF3N2O2 and a molecular weight of 342.70 g/mol. Its IUPAC name is 1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-2,3-dihydroindole
PubChem CID16553326
Molecular FormulaC15H10ClF3N2O2
Molecular Weight342.70 g/mol
Exact Mass342.04
IUPAC Name1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-2,3-dihydroindole
SMILESO=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCc2ccccc21
InChIInChI=1S/C15H10ClF3N2O2/c16-11-8-13(14(21(22)23)7-10(11)15(17,18)19)20-6-5-9-3-1-2-4-12(9)20/h1-4,7-8H,5-6H2
InChIKeyRPTGQBYMDLQQFO-UHFFFAOYSA-N
XLogP4.96
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.70
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2,3-dihydroindol-1-yl)-3-nitroaniline
CID 82299179
1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-3-nitropyrazole
CID 49429539
1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]azetidine-3-carboxylic acid
CID 122064566
2-[4-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol
CID 3986576
methyl 4-(2,3-dihydroindol-1-yl)-3-nitrobenzoate
CID 23961339
1-chloro-5-fluoro-4-nitro-2-(trifluoromethyl)benzene
CID 58919797
4-(2,3-dihydroindol-1-yl)-N,N-diethyl-3-nitrobenzenesulfonamide
CID 4877058
7-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-1,4-dioxa-7-azaspiro[4.4]nonane
CID 133293327
1-[4-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
CID 133285407
1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-4-(pyridin-3-ylmethyl)piperazine
CID 24606737
4-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
CID 52864203
2-(2,3-dihydroindol-1-yl)-5-nitrobenzaldehyde
CID 43089612

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-2,3-dihydroindole?
The IUPAC name of 1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-2,3-dihydroindole (CID 16553326) is 1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-2,3-dihydroindole.
What is the SMILES notation for 1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-2,3-dihydroindole?
The canonical SMILES for 1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-2,3-dihydroindole is O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCc2ccccc21.
What is the InChIKey of 1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-2,3-dihydroindole?
The InChIKey is RPTGQBYMDLQQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2O2/c16-11-8-13(14(21(22)23)7-10(11)15(17,18)19)20-6-5-9-3-1-2-4-12(9)20/h1-4,7-8H,5-6H2.
What are the key properties of 1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-2,3-dihydroindole?
1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-2,3-dihydroindole has a molecular weight of 342.70 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-2,3-dihydroindole is sourced from PubChem (CID 16553326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).