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

C24H21ClN2O — CID 67974521

IUPAC4-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C24H21ClN2O/c25-21-10-11-23-22(15-21)20(16-27-23)12-13-26-24(28)19-8-6-18(7-9-19)14-17-4-2-1-3-5-17/h1-11,15-16,27H,12-14H2,(H,26,28)
InChIKeyTXJONZLAFNGACS-UHFFFAOYSA-N
MW388.90 g/mol
LogP5.38
Rot. Bonds6

About 4-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide

4-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide (PubChem CID 67974521) has the molecular formula C24H21ClN2O and a molecular weight of 388.90 g/mol. Its IUPAC name is 4-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
PubChem CID67974521
Molecular FormulaC24H21ClN2O
Molecular Weight388.90 g/mol
Exact Mass388.13
IUPAC Name4-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C24H21ClN2O/c25-21-10-11-23-22(15-21)20(16-27-23)12-13-26-24(28)19-8-6-18(7-9-19)14-17-4-2-1-3-5-17/h1-11,15-16,27H,12-14H2,(H,26,28)
InChIKeyTXJONZLAFNGACS-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 4-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

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(2-fluorophenyl)methyl]benzamide
CID 86699424
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 67974603
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-fluoro-4-[(3-fluorophenyl)methyl]benzamide
CID 67974093
4-acetamido-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 17271798
5-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,2,4-thiadiazole-3-carboxamide
CID 66831924
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,4-dimethylbenzamide
CID 17271786
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(2-cyanophenyl)benzamide
CID 67973487
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(2-cyanophenyl)methyl]benzamide
CID 67974504
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-iodobenzamide
CID 17271850
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(furan-2-ylmethyl)benzamide
CID 86699433
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(propanoylamino)benzamide
CID 17272039
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(cyclohexylmethylamino)methyl]benzamide
CID 67974683

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 4-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide (CID 67974521) is 4-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 4-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide is O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 4-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide?
The InChIKey is TXJONZLAFNGACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O/c25-21-10-11-23-22(15-21)20(16-27-23)12-13-26-24(28)19-8-6-18(7-9-19)14-17-4-2-1-3-5-17/h1-11,15-16,27H,12-14H2,(H,26,28).
What are the key properties of 4-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide?
4-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 4-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 67974521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).