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

C24H21ClN2O — CID 67974395

IUPAC3-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(Cc2ccccc2)c1
InChIInChI=1S/C24H21ClN2O/c25-21-9-10-23-22(15-21)20(16-27-23)11-12-26-24(28)19-8-4-7-18(14-19)13-17-5-2-1-3-6-17/h1-10,14-16,27H,11-13H2,(H,26,28)
InChIKeyNRDVEWMCNQMVES-UHFFFAOYSA-N
MW388.90 g/mol
LogP5.38
Rot. Bonds6

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

3-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide (PubChem CID 67974395) has the molecular formula C24H21ClN2O and a molecular weight of 388.90 g/mol. Its IUPAC name is 3-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
PubChem CID67974395
Molecular FormulaC24H21ClN2O
Molecular Weight388.90 g/mol
Exact Mass388.13
IUPAC Name3-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(Cc2ccccc2)c1
InChIInChI=1S/C24H21ClN2O/c25-21-9-10-23-22(15-21)20(16-27-23)11-12-26-24(28)19-8-4-7-18(14-19)13-17-5-2-1-3-6-17/h1-10,14-16,27H,11-13H2,(H,26,28)
InChIKeyNRDVEWMCNQMVES-UHFFFAOYSA-N
XLogP5.38
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.90
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 3-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Indoramin
CID 33625
Indoramin hydrochloride
CID 38102
5-Carboxamidotryptamine
CID 1809
Org27569
CID 44828492
Cinnamoyl tryptamine
CID 823206
N-(1H-indol-5-yl)benzamide
CID 2814138
Benzoic acid (1H-indol-3-ylmethylene)-hydrazide
CID 135495642
Mk-3577
CID 46240797
3-Chloro-N-((1R,2S)-2-(4-(2-oxopyridin-1(2H)-YL)benzamido)cyclohexyl)-1H-indole-6-carboxamide
CID 11237163
(5-chloro-1H-indol-2-yl)(piperazino)methanone
CID 21638785
N-(2-(1H-indol-3-yl)ethyl)benzamide
CID 684658
N'-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-ylidene)isonicotinohydrazide
CID 135501782

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 3-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide (CID 67974395) is 3-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 3-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide is O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(Cc2ccccc2)c1.
What is the InChIKey of 3-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide?
The InChIKey is NRDVEWMCNQMVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O/c25-21-9-10-23-22(15-21)20(16-27-23)11-12-26-24(28)19-8-4-7-18(14-19)13-17-5-2-1-3-6-17/h1-10,14-16,27H,11-13H2,(H,26,28).
What are the key properties of 3-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide?
3-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide has a molecular weight of 388.90 g/mol, XLogP of 5.38, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 67974395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).