2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide

C29H25N3O3 — CID 38113651

IUPAC2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(Cc2ccncc2)cc1)c1ccccc1OCC(=O)N1CCc2ccccc21
InChIInChI=1S/C29H25N3O3/c33-28(32-18-15-23-5-1-3-7-26(23)32)20-35-27-8-4-2-6-25(27)29(34)31-24-11-9-21(10-12-24)19-22-13-16-30-17-14-22/h1-14,16-17H,15,18-20H2,(H,31,34)
InChIKeyGBJDVBCTOXKRCF-UHFFFAOYSA-N
MW463.54 g/mol
LogP4.89
Rot. Bonds7

About 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide

2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide (PubChem CID 38113651) has the molecular formula C29H25N3O3 and a molecular weight of 463.54 g/mol. Its IUPAC name is 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
PubChem CID38113651
Molecular FormulaC29H25N3O3
Molecular Weight463.54 g/mol
Exact Mass463.19
IUPAC Name2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(Cc2ccncc2)cc1)c1ccccc1OCC(=O)N1CCc2ccccc21
InChIInChI=1S/C29H25N3O3/c33-28(32-18-15-23-5-1-3-7-26(23)32)20-35-27-8-4-2-6-25(27)29(34)31-24-11-9-21(10-12-24)19-22-13-16-30-17-14-22/h1-14,16-17H,15,18-20H2,(H,31,34)
InChIKeyGBJDVBCTOXKRCF-UHFFFAOYSA-N
XLogP4.89
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone
CID 823401
1-(2,3-dihydroindol-1-yl)-2-quinolin-8-yloxyethanone
CID 757469
2-[2-(diethylamino)-2-oxoethoxy]-N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]benzamide
CID 19607789
1-(2,3-dihydroindol-1-yl)-2-(pyridin-4-ylmethylamino)ethanone
CID 108999656
2-butoxy-N-[4-[[4-[(2-butoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 4941899
2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 9105631
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
N-(4-chlorophenyl)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzamide
CID 18286918
N-[2-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-2-ethoxybenzamide
CID 126768533
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(methylamino)benzoate
CID 2542921
1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenoxy)ethanone
CID 828891
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide
CID 55969040

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide?
The IUPAC name of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide (CID 38113651) is 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide?
The canonical SMILES for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide is O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccccc1OCC(=O)N1CCc2ccccc21.
What is the InChIKey of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide?
The InChIKey is GBJDVBCTOXKRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O3/c33-28(32-18-15-23-5-1-3-7-26(23)32)20-35-27-8-4-2-6-25(27)29(34)31-24-11-9-21(10-12-24)19-22-13-16-30-17-14-22/h1-14,16-17H,15,18-20H2,(H,31,34).
What are the key properties of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide?
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide has a molecular weight of 463.54 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 38113651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).