2-[3-(4-chlorobenzoyl)indol-1-yl]-N-[(2-methylphenyl)methyl]acetamide

Name: 2-[3-(4-chlorobenzoyl)indol-1-yl]-N-[(2-methylphenyl)methyl]acetamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₅H₂₁ClN₂O₂ — CID 164781411

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-[3-(4-chlorobenzoyl)indol-1-yl]-N-[(2-methylphenyl)methyl]acetamide

SMILESCc1ccccc1CNC(=O)Cn1cc(C(=O)c2ccc(Cl)cc2)c2ccccc21

InChIInChI=1S/C25H21ClN2O2/c1-17-6-2-3-7-19(17)14-27-24(29)16-28-15-22(21-8-4-5-9-23(21)28)25(30)18-10-12-20(26)13-11-18/h2-13,15H,14,16H2,1H3,(H,27,29)

InChIKeyWIWWLSIRMXBFQI-UHFFFAOYSA-N

MW416.91 g/mol

LogP5.15

Rot. Bonds6

About 2-[3-(4-chlorobenzoyl)indol-1-yl]-N-[(2-methylphenyl)methyl]acetamide

2-[3-(4-chlorobenzoyl)indol-1-yl]-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 164781411) has the molecular formula C₂₅H₂₁ClN₂O₂ and a molecular weight of 416.91 g/mol. Its IUPAC name is 2-[3-(4-chlorobenzoyl)indol-1-yl]-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name	2-[3-(4-chlorobenzoyl)indol-1-yl]-N-[(2-methylphenyl)methyl]acetamide
PubChem CID	164781411
Molecular Formula	C₂₅H₂₁ClN₂O₂
Molecular Weight	416.91 g/mol
Exact Mass	416.13
IUPAC Name	2-[3-(4-chlorobenzoyl)indol-1-yl]-N-[(2-methylphenyl)methyl]acetamide
SMILES	Cc1ccccc1CNC(=O)Cn1cc(C(=O)c2ccc(Cl)cc2)c2ccccc21
InChI	InChI=1S/C25H21ClN2O2/c1-17-6-2-3-7-19(17)14-27-24(29)16-28-15-22(21-8-4-5-9-23(21)28)25(30)18-10-12-20(26)13-11-18/h2-13,15H,14,16H2,1H3,(H,27,29)
InChIKey	WIWWLSIRMXBFQI-UHFFFAOYSA-N
XLogP	5.15
TPSA	51.10 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	6
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	416.91
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorobenzoyl)indol-1-yl]-N-[(2-methylphenyl)methyl]acetamide?

The IUPAC name of 2-[3-(4-chlorobenzoyl)indol-1-yl]-N-[(2-methylphenyl)methyl]acetamide (CID 164781411) is 2-[3-(4-chlorobenzoyl)indol-1-yl]-N-[(2-methylphenyl)methyl]acetamide.

What is the SMILES notation for 2-[3-(4-chlorobenzoyl)indol-1-yl]-N-[(2-methylphenyl)methyl]acetamide?

The canonical SMILES for 2-[3-(4-chlorobenzoyl)indol-1-yl]-N-[(2-methylphenyl)methyl]acetamide is Cc1ccccc1CNC(=O)Cn1cc(C(=O)c2ccc(Cl)cc2)c2ccccc21.

What is the InChIKey of 2-[3-(4-chlorobenzoyl)indol-1-yl]-N-[(2-methylphenyl)methyl]acetamide?

The InChIKey is WIWWLSIRMXBFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O2/c1-17-6-2-3-7-19(17)14-27-24(29)16-28-15-22(21-8-4-5-9-23(21)28)25(30)18-10-12-20(26)13-11-18/h2-13,15H,14,16H2,1H3,(H,27,29).

What are the key properties of 2-[3-(4-chlorobenzoyl)indol-1-yl]-N-[(2-methylphenyl)methyl]acetamide?

2-[3-(4-chlorobenzoyl)indol-1-yl]-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 416.91 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(4-chlorobenzoyl)indol-1-yl]-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 164781411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 164781411 — identifiers, structure, computed properties (public domain)

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