N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide

C17H12ClF3N2O2 — CID 108531995

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N1CCc2ccccc21
InChIInChI=1S/C17H12ClF3N2O2/c18-11-5-6-13(12(9-11)17(19,20)21)22-15(24)16(25)23-8-7-10-3-1-2-4-14(10)23/h1-6,9H,7-8H2,(H,22,24)
InChIKeyGBRVVIWFCWVEQM-UHFFFAOYSA-N
MW368.74 g/mol
LogP3.89
Rot. Bonds1

About N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide (PubChem CID 108531995) has the molecular formula C17H12ClF3N2O2 and a molecular weight of 368.74 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide
PubChem CID108531995
Molecular FormulaC17H12ClF3N2O2
Molecular Weight368.74 g/mol
Exact Mass368.05
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N1CCc2ccccc21
InChIInChI=1S/C17H12ClF3N2O2/c18-11-5-6-13(12(9-11)17(19,20)21)22-15(24)16(25)23-8-7-10-3-1-2-4-14(10)23/h1-6,9H,7-8H2,(H,22,24)
InChIKeyGBRVVIWFCWVEQM-UHFFFAOYSA-N
XLogP3.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.74
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108991269
N-(4-chloro-2-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide
CID 108505647
N-(3-chloro-4-fluorophenyl)-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108530542
N-(2,4-difluorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide
CID 108505775
2-(2,3-dihydroindol-1-yl)-2-oxo-N-phenylacetamide
CID 108521834
2-(2,3-dihydroindol-1-yl)-N-(5-hydroxynaphthalen-1-yl)-2-oxoacetamide
CID 108509407
2-[[2-(2,3-dihydroindol-1-yl)-2-oxoacetyl]amino]benzamide
CID 108529414
2-(2,3-dihydroindol-1-yl)-N-(3-fluorophenyl)-2-oxoacetamide
CID 108531920
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,3-dihydro-1H-inden-2-yl)urea
CID 74226457
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-hydroxy-2-methylphenyl)-2-oxoacetamide
CID 108505557
N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2332633

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide (CID 108531995) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide is O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N1CCc2ccccc21.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide?
The InChIKey is GBRVVIWFCWVEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N2O2/c18-11-5-6-13(12(9-11)17(19,20)21)22-15(24)16(25)23-8-7-10-3-1-2-4-14(10)23/h1-6,9H,7-8H2,(H,22,24).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide has a molecular weight of 368.74 g/mol, XLogP of 3.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108531995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).