2-anilino-N-[2-(5-ethyl-1H-indol-3-yl)ethyl]benzamide

C25H25N3O — CID 175502809

IUPAC2-anilino-N-[2-(5-ethyl-1H-indol-3-yl)ethyl]benzamide
SMILESCCc1ccc2[nH]cc(CCNC(=O)c3ccccc3Nc3ccccc3)c2c1
InChIInChI=1S/C25H25N3O/c1-2-18-12-13-23-22(16-18)19(17-27-23)14-15-26-25(29)21-10-6-7-11-24(21)28-20-8-4-3-5-9-20/h3-13,16-17,27-28H,2,14-15H2,1H3,(H,26,29)
InChIKeyDMUZMBBISUDGSY-UHFFFAOYSA-N
MW383.50 g/mol
LogP5.45
Rot. Bonds7

About 2-anilino-N-[2-(5-ethyl-1H-indol-3-yl)ethyl]benzamide

2-anilino-N-[2-(5-ethyl-1H-indol-3-yl)ethyl]benzamide (PubChem CID 175502809) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-anilino-N-[2-(5-ethyl-1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-anilino-N-[2-(5-ethyl-1H-indol-3-yl)ethyl]benzamide
PubChem CID175502809
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name2-anilino-N-[2-(5-ethyl-1H-indol-3-yl)ethyl]benzamide
SMILESCCc1ccc2[nH]cc(CCNC(=O)c3ccccc3Nc3ccccc3)c2c1
InChIInChI=1S/C25H25N3O/c1-2-18-12-13-23-22(16-18)19(17-27-23)14-15-26-25(29)21-10-6-7-11-24(21)28-20-8-4-3-5-9-20/h3-13,16-17,27-28H,2,14-15H2,1H3,(H,26,29)
InChIKeyDMUZMBBISUDGSY-UHFFFAOYSA-N
XLogP5.45
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.50
LogP ≤ 55.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-butylanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 164621073
[3-[2-[(2-anilinobenzoyl)amino]ethyl]-1H-indol-5-yl] N-butylcarbamate
CID 175502824
[3-[2-[(2-anilinobenzoyl)amino]ethyl]-1H-indol-5-yl] azetidine-1-carboxylate
CID 172737766
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-[3-(trifluoromethyl)anilino]benzamide
CID 118723541
2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 162373909
5-(4-ethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109237657
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hydroxybenzamide
CID 155516405
2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 27232143
4-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 67974521
2-[5-(hydroxymethyl)-1H-indol-3-yl]ethylcarbamic acid
CID 70391610
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(pyridin-3-ylcarbamoylamino)benzamide
CID 154724354
[2-[2-(5-hydroxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
CID 118723540

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[2-(5-ethyl-1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 2-anilino-N-[2-(5-ethyl-1H-indol-3-yl)ethyl]benzamide (CID 175502809) is 2-anilino-N-[2-(5-ethyl-1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 2-anilino-N-[2-(5-ethyl-1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 2-anilino-N-[2-(5-ethyl-1H-indol-3-yl)ethyl]benzamide is CCc1ccc2[nH]cc(CCNC(=O)c3ccccc3Nc3ccccc3)c2c1.
What is the InChIKey of 2-anilino-N-[2-(5-ethyl-1H-indol-3-yl)ethyl]benzamide?
The InChIKey is DMUZMBBISUDGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c1-2-18-12-13-23-22(16-18)19(17-27-23)14-15-26-25(29)21-10-6-7-11-24(21)28-20-8-4-3-5-9-20/h3-13,16-17,27-28H,2,14-15H2,1H3,(H,26,29).
What are the key properties of 2-anilino-N-[2-(5-ethyl-1H-indol-3-yl)ethyl]benzamide?
2-anilino-N-[2-(5-ethyl-1H-indol-3-yl)ethyl]benzamide has a molecular weight of 383.50 g/mol, XLogP of 5.45, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[2-(5-ethyl-1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 175502809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).