4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)-N-[3-(trifluoromethyl)phenyl]butanamide

C19H15F3N2O3 — CID 110344893

IUPAC4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)-N-[3-(trifluoromethyl)phenyl]butanamide
SMILESO=C(CCC(=O)c1ccc2c(c1)CC(=O)N2)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H15F3N2O3/c20-19(21,22)13-2-1-3-14(10-13)23-17(26)7-6-16(25)11-4-5-15-12(8-11)9-18(27)24-15/h1-5,8,10H,6-7,9H2,(H,23,26)(H,24,27)
InChIKeyHNCIXZUYPHCKGS-UHFFFAOYSA-N
MW376.33 g/mol
LogP3.80
Rot. Bonds5

About 4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)-N-[3-(trifluoromethyl)phenyl]butanamide

4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)-N-[3-(trifluoromethyl)phenyl]butanamide (PubChem CID 110344893) has the molecular formula C19H15F3N2O3 and a molecular weight of 376.33 g/mol. Its IUPAC name is 4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)-N-[3-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)-N-[3-(trifluoromethyl)phenyl]butanamide
PubChem CID110344893
Molecular FormulaC19H15F3N2O3
Molecular Weight376.33 g/mol
Exact Mass376.10
IUPAC Name4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)-N-[3-(trifluoromethyl)phenyl]butanamide
SMILESO=C(CCC(=O)c1ccc2c(c1)CC(=O)N2)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H15F3N2O3/c20-19(21,22)13-2-1-3-14(10-13)23-17(26)7-6-16(25)11-4-5-15-12(8-11)9-18(27)24-15/h1-5,8,10H,6-7,9H2,(H,23,26)(H,24,27)
InChIKeyHNCIXZUYPHCKGS-UHFFFAOYSA-N
XLogP3.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 110768501
N-(2-methylphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 110344864
N-(4-ethoxyphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 110344890
2-(2-oxo-1,3-dihydroindol-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 110768191
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
3-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2366241
N-cyclopentyl-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 110344793
N-[3-(2-oxo-1,3-dihydroindole-5-carbonyl)phenyl]acetamide
CID 68698490
3-hydroxy-N-(2-oxo-1,3-dihydroindol-5-yl)-3-phenylbutanamide
CID 110025383
3-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3619896
5-(2,2,2-trifluoroacetyl)-1,3-dihydroindol-2-one
CID 80503823
4-[(1S)-2,5-dioxocyclohexyl]-4-oxo-N-[3-(trifluoromethyl)phenyl]butanamide
CID 124632173

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)-N-[3-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)-N-[3-(trifluoromethyl)phenyl]butanamide (CID 110344893) is 4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)-N-[3-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)-N-[3-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)-N-[3-(trifluoromethyl)phenyl]butanamide is O=C(CCC(=O)c1ccc2c(c1)CC(=O)N2)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)-N-[3-(trifluoromethyl)phenyl]butanamide?
The InChIKey is HNCIXZUYPHCKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3/c20-19(21,22)13-2-1-3-14(10-13)23-17(26)7-6-16(25)11-4-5-15-12(8-11)9-18(27)24-15/h1-5,8,10H,6-7,9H2,(H,23,26)(H,24,27).
What are the key properties of 4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)-N-[3-(trifluoromethyl)phenyl]butanamide?
4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)-N-[3-(trifluoromethyl)phenyl]butanamide has a molecular weight of 376.33 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)-N-[3-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 110344893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).