1-[1-[3-[(2-ethylanilino)methyl]benzoyl]-2,3-dihydroindol-5-yl]ethanone

C26H26N2O2 — CID 84558216

IUPAC1-[1-[3-[(2-ethylanilino)methyl]benzoyl]-2,3-dihydroindol-5-yl]ethanone
SMILESCCc1ccccc1NCc1cccc(C(=O)N2CCc3cc(C(C)=O)ccc32)c1
InChIInChI=1S/C26H26N2O2/c1-3-20-8-4-5-10-24(20)27-17-19-7-6-9-23(15-19)26(30)28-14-13-22-16-21(18(2)29)11-12-25(22)28/h4-12,15-16,27H,3,13-14,17H2,1-2H3
InChIKeyFAPHMSDPLHNQGN-UHFFFAOYSA-N
MW398.51 g/mol
LogP5.27
Rot. Bonds6

About 1-[1-[3-[(2-ethylanilino)methyl]benzoyl]-2,3-dihydroindol-5-yl]ethanone

1-[1-[3-[(2-ethylanilino)methyl]benzoyl]-2,3-dihydroindol-5-yl]ethanone (PubChem CID 84558216) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-[1-[3-[(2-ethylanilino)methyl]benzoyl]-2,3-dihydroindol-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-[3-[(2-ethylanilino)methyl]benzoyl]-2,3-dihydroindol-5-yl]ethanone
PubChem CID84558216
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name1-[1-[3-[(2-ethylanilino)methyl]benzoyl]-2,3-dihydroindol-5-yl]ethanone
SMILESCCc1ccccc1NCc1cccc(C(=O)N2CCc3cc(C(C)=O)ccc32)c1
InChIInChI=1S/C26H26N2O2/c1-3-20-8-4-5-10-24(20)27-17-19-7-6-9-23(15-19)26(30)28-14-13-22-16-21(18(2)29)11-12-25(22)28/h4-12,15-16,27H,3,13-14,17H2,1-2H3
InChIKeyFAPHMSDPLHNQGN-UHFFFAOYSA-N
XLogP5.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(2-ethylanilino)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 84558036
N-[3-(5-acetyl-2,3-dihydroindole-1-carbonyl)phenyl]acetamide
CID 110746144
2-ethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 62094936
1-(2-ethylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099740
N-(3-acetamidophenyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84554547
1-[1-(4-bromobenzoyl)-2,3-dihydroindol-5-yl]ethanone
CID 110737345
3-[[3-[(2-ethylanilino)methyl]benzoyl]amino]benzoic acid
CID 84554499
2,3-dihydroindol-1-yl-[3-[(3-propan-2-ylphenyl)methylamino]phenyl]methanone
CID 154866237
N-[2-(5-acetyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzamide
CID 110746143
1-[1-[4-(dimethylamino)benzoyl]-2,3-dihydroindol-5-yl]ethanone
CID 110746141
methyl 1-benzoyl-2,3-dihydroindole-5-carboxylate
CID 10660450
1-[1-(3,5-dimethoxybenzoyl)-2,3-dihydroindol-5-yl]ethanone
CID 110737350

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[(2-ethylanilino)methyl]benzoyl]-2,3-dihydroindol-5-yl]ethanone?
The IUPAC name of 1-[1-[3-[(2-ethylanilino)methyl]benzoyl]-2,3-dihydroindol-5-yl]ethanone (CID 84558216) is 1-[1-[3-[(2-ethylanilino)methyl]benzoyl]-2,3-dihydroindol-5-yl]ethanone.
What is the SMILES notation for 1-[1-[3-[(2-ethylanilino)methyl]benzoyl]-2,3-dihydroindol-5-yl]ethanone?
The canonical SMILES for 1-[1-[3-[(2-ethylanilino)methyl]benzoyl]-2,3-dihydroindol-5-yl]ethanone is CCc1ccccc1NCc1cccc(C(=O)N2CCc3cc(C(C)=O)ccc32)c1.
What is the InChIKey of 1-[1-[3-[(2-ethylanilino)methyl]benzoyl]-2,3-dihydroindol-5-yl]ethanone?
The InChIKey is FAPHMSDPLHNQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-3-20-8-4-5-10-24(20)27-17-19-7-6-9-23(15-19)26(30)28-14-13-22-16-21(18(2)29)11-12-25(22)28/h4-12,15-16,27H,3,13-14,17H2,1-2H3.
What are the key properties of 1-[1-[3-[(2-ethylanilino)methyl]benzoyl]-2,3-dihydroindol-5-yl]ethanone?
1-[1-[3-[(2-ethylanilino)methyl]benzoyl]-2,3-dihydroindol-5-yl]ethanone has a molecular weight of 398.51 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-[(2-ethylanilino)methyl]benzoyl]-2,3-dihydroindol-5-yl]ethanone is sourced from PubChem (CID 84558216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).