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

C24H20F3N3O2 — CID 54841691

IUPAC3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NCC(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C24H20F3N3O2/c25-24(26,27)18-7-4-9-20(14-18)29-23(32)17-6-3-8-19(13-17)28-15-22(31)30-12-11-16-5-1-2-10-21(16)30/h1-10,13-14,28H,11-12,15H2,(H,29,32)
InChIKeyOGRAPAMFHPNCBU-UHFFFAOYSA-N
MW439.44 g/mol
LogP4.96
Rot. Bonds5

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

3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 54841691) has the molecular formula C24H20F3N3O2 and a molecular weight of 439.44 g/mol. Its IUPAC name is 3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID54841691
Molecular FormulaC24H20F3N3O2
Molecular Weight439.44 g/mol
Exact Mass439.15
IUPAC Name3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NCC(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C24H20F3N3O2/c25-24(26,27)18-7-4-9-20(14-18)29-23(32)17-6-3-8-19(13-17)28-15-22(31)30-12-11-16-5-1-2-10-21(16)30/h1-10,13-14,28H,11-12,15H2,(H,29,32)
InChIKeyOGRAPAMFHPNCBU-UHFFFAOYSA-N
XLogP4.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.44
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone
CID 4818722
N-[3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]benzamide
CID 54839150
N-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]phenyl]benzamide
CID 54839210
N-[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 4625526
N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 894781
3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836165
3-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54841601
N-[3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]hexanamide
CID 54842688
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(morpholine-4-carbonyl)anilino]ethanone
CID 54836679
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
3-[[2-(diethylamino)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54841572
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 46384446

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 54841691) is 3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NCC(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is OGRAPAMFHPNCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O2/c25-24(26,27)18-7-4-9-20(14-18)29-23(32)17-6-3-8-19(13-17)28-15-22(31)30-12-11-16-5-1-2-10-21(16)30/h1-10,13-14,28H,11-12,15H2,(H,29,32).
What are the key properties of 3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 439.44 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 54841691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).