N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]benzamide

C24H19F3N2O2 — CID 166182398

IUPACN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(NCC(=O)N1CCc2ccccc21)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H19F3N2O2/c25-24(26,27)18-11-9-16(10-12-18)19-6-2-3-7-20(19)23(31)28-15-22(30)29-14-13-17-5-1-4-8-21(17)29/h1-12H,13-15H2,(H,28,31)
InChIKeyYQJWAFPHZMEXTL-UHFFFAOYSA-N
MW424.42 g/mol
LogP4.69
Rot. Bonds4

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

N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 166182398) has the molecular formula C24H19F3N2O2 and a molecular weight of 424.42 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID166182398
Molecular FormulaC24H19F3N2O2
Molecular Weight424.42 g/mol
Exact Mass424.14
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(NCC(=O)N1CCc2ccccc21)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H19F3N2O2/c25-24(26,27)18-11-9-16(10-12-18)19-6-2-3-7-20(19)23(31)28-15-22(30)29-14-13-17-5-1-4-8-21(17)29/h1-12H,13-15H2,(H,28,31)
InChIKeyYQJWAFPHZMEXTL-UHFFFAOYSA-N
XLogP4.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-fluoro-5-phenylbenzamide
CID 110606102
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4-difluorobenzamide
CID 29406171
N-[2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 110673378
1-(2,3-dihydroindol-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone
CID 4818722
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-oxochromene-3-carboxamide
CID 110673380
1-(2,3-dihydroindol-1-yl)-2-(2-phenylanilino)ethanone
CID 42067940
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-phenylbenzamide
CID 110370767
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide
CID 47413298
1-tert-butyl-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]urea
CID 46383527
5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]furan-2-carboxamide
CID 2453360
N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 47714484
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 71937420

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]benzamide (CID 166182398) is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]benzamide is O=C(NCC(=O)N1CCc2ccccc21)c1ccccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is YQJWAFPHZMEXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2O2/c25-24(26,27)18-11-9-16(10-12-18)19-6-2-3-7-20(19)23(31)28-15-22(30)29-14-13-17-5-1-4-8-21(17)29/h1-12H,13-15H2,(H,28,31).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 424.42 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 166182398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).