N-[2-oxo-1-phenyl-2-(propylamino)ethyl]-1-[2-[4-(trifluoromethyl)phenyl]benzoyl]-2,3-dihydroindole-5-carboxamide

C34H30F3N3O3 — CID 75022809

IUPACN-[2-oxo-1-phenyl-2-(propylamino)ethyl]-1-[2-[4-(trifluoromethyl)phenyl]benzoyl]-2,3-dihydroindole-5-carboxamide
SMILESCCCNC(=O)C(NC(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C34H30F3N3O3/c1-2-19-38-32(42)30(23-8-4-3-5-9-23)39-31(41)25-14-17-29-24(21-25)18-20-40(29)33(43)28-11-7-6-10-27(28)22-12-15-26(16-13-22)34(35,36)37/h3-17,21,30H,2,18-20H2,1H3,(H,38,42)(H,39,41)
InChIKeyHEABVRUXOSFOFQ-UHFFFAOYSA-N
MW585.63 g/mol
LogP6.57
Rot. Bonds8

About N-[2-oxo-1-phenyl-2-(propylamino)ethyl]-1-[2-[4-(trifluoromethyl)phenyl]benzoyl]-2,3-dihydroindole-5-carboxamide

N-[2-oxo-1-phenyl-2-(propylamino)ethyl]-1-[2-[4-(trifluoromethyl)phenyl]benzoyl]-2,3-dihydroindole-5-carboxamide (PubChem CID 75022809) has the molecular formula C34H30F3N3O3 and a molecular weight of 585.63 g/mol. Its IUPAC name is N-[2-oxo-1-phenyl-2-(propylamino)ethyl]-1-[2-[4-(trifluoromethyl)phenyl]benzoyl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-1-phenyl-2-(propylamino)ethyl]-1-[2-[4-(trifluoromethyl)phenyl]benzoyl]-2,3-dihydroindole-5-carboxamide
PubChem CID75022809
Molecular FormulaC34H30F3N3O3
Molecular Weight585.63 g/mol
Exact Mass585.22
IUPAC NameN-[2-oxo-1-phenyl-2-(propylamino)ethyl]-1-[2-[4-(trifluoromethyl)phenyl]benzoyl]-2,3-dihydroindole-5-carboxamide
SMILESCCCNC(=O)C(NC(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C34H30F3N3O3/c1-2-19-38-32(42)30(23-8-4-3-5-9-23)39-31(41)25-14-17-29-24(21-25)18-20-40(29)33(43)28-11-7-6-10-27(28)22-12-15-26(16-13-22)34(35,36)37/h3-17,21,30H,2,18-20H2,1H3,(H,38,42)(H,39,41)
InChIKeyHEABVRUXOSFOFQ-UHFFFAOYSA-N
XLogP6.57
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.63
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[2-oxo-2-(pentan-3-ylamino)-1-phenylethyl]-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzamide
CID 91409257
1-(2,3-difluorobenzoyl)-N-(1-phenylpropyl)-2,3-dihydroindole-5-carboxamide
CID 71109938
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 166182398
N-[4-[[1-[2-oxo-1-phenyl-2-(propylamino)ethyl]pyrrolidin-3-yl]amino]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 58741414
N-[(1S)-2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenylethyl]-2-[methyl-[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-6-carboxamide
CID 160957169
N-[2-[butyl(ethyl)amino]-2-oxo-1-phenylethyl]-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-6-carboxamide
CID 154281432
methyl (2S)-2-phenyl-2-[[2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-6-carbonyl]amino]acetate
CID 59710991
N-[(1S)-1-phenylbutyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 51959111
N-[4-[[[2-(pentanoylamino)-2-phenylacetyl]amino]methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 91347044
N-[2-oxo-2-(propylamino)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide
CID 46016012
N-[4-[3-[[2-(ethylamino)-2-oxo-1-phenylethyl]amino]pyrrolidin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 58741445
N-[(1S)-2-(5-hydroxypentylamino)-2-oxo-1-phenylethyl]-2-[[2-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]quinoline-6-carboxamide
CID 91021047

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-1-phenyl-2-(propylamino)ethyl]-1-[2-[4-(trifluoromethyl)phenyl]benzoyl]-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[2-oxo-1-phenyl-2-(propylamino)ethyl]-1-[2-[4-(trifluoromethyl)phenyl]benzoyl]-2,3-dihydroindole-5-carboxamide (CID 75022809) is N-[2-oxo-1-phenyl-2-(propylamino)ethyl]-1-[2-[4-(trifluoromethyl)phenyl]benzoyl]-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[2-oxo-1-phenyl-2-(propylamino)ethyl]-1-[2-[4-(trifluoromethyl)phenyl]benzoyl]-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[2-oxo-1-phenyl-2-(propylamino)ethyl]-1-[2-[4-(trifluoromethyl)phenyl]benzoyl]-2,3-dihydroindole-5-carboxamide is CCCNC(=O)C(NC(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of N-[2-oxo-1-phenyl-2-(propylamino)ethyl]-1-[2-[4-(trifluoromethyl)phenyl]benzoyl]-2,3-dihydroindole-5-carboxamide?
The InChIKey is HEABVRUXOSFOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30F3N3O3/c1-2-19-38-32(42)30(23-8-4-3-5-9-23)39-31(41)25-14-17-29-24(21-25)18-20-40(29)33(43)28-11-7-6-10-27(28)22-12-15-26(16-13-22)34(35,36)37/h3-17,21,30H,2,18-20H2,1H3,(H,38,42)(H,39,41).
What are the key properties of N-[2-oxo-1-phenyl-2-(propylamino)ethyl]-1-[2-[4-(trifluoromethyl)phenyl]benzoyl]-2,3-dihydroindole-5-carboxamide?
N-[2-oxo-1-phenyl-2-(propylamino)ethyl]-1-[2-[4-(trifluoromethyl)phenyl]benzoyl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 585.63 g/mol, XLogP of 6.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-1-phenyl-2-(propylamino)ethyl]-1-[2-[4-(trifluoromethyl)phenyl]benzoyl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 75022809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).