2-methyl-4-[[2-(2-phenylindol-1-yl)acetyl]amino]benzamide

C24H21N3O2 — CID 56518035

IUPAC2-methyl-4-[[2-(2-phenylindol-1-yl)acetyl]amino]benzamide
SMILESCc1cc(NC(=O)Cn2c(-c3ccccc3)cc3ccccc32)ccc1C(N)=O
InChIInChI=1S/C24H21N3O2/c1-16-13-19(11-12-20(16)24(25)29)26-23(28)15-27-21-10-6-5-9-18(21)14-22(27)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H2,25,29)(H,26,28)
InChIKeyJYAUSZCJPSRPBC-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.35
Rot. Bonds5

About 2-methyl-4-[[2-(2-phenylindol-1-yl)acetyl]amino]benzamide

2-methyl-4-[[2-(2-phenylindol-1-yl)acetyl]amino]benzamide (PubChem CID 56518035) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-methyl-4-[[2-(2-phenylindol-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound Name2-methyl-4-[[2-(2-phenylindol-1-yl)acetyl]amino]benzamide
PubChem CID56518035
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name2-methyl-4-[[2-(2-phenylindol-1-yl)acetyl]amino]benzamide
SMILESCc1cc(NC(=O)Cn2c(-c3ccccc3)cc3ccccc32)ccc1C(N)=O
InChIInChI=1S/C24H21N3O2/c1-16-13-19(11-12-20(16)24(25)29)26-23(28)15-27-21-10-6-5-9-18(21)14-22(27)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H2,25,29)(H,26,28)
InChIKeyJYAUSZCJPSRPBC-UHFFFAOYSA-N
XLogP4.35
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[2-(2-phenylindol-1-yl)acetyl]amino]benzamide?
The IUPAC name of 2-methyl-4-[[2-(2-phenylindol-1-yl)acetyl]amino]benzamide (CID 56518035) is 2-methyl-4-[[2-(2-phenylindol-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for 2-methyl-4-[[2-(2-phenylindol-1-yl)acetyl]amino]benzamide?
The canonical SMILES for 2-methyl-4-[[2-(2-phenylindol-1-yl)acetyl]amino]benzamide is Cc1cc(NC(=O)Cn2c(-c3ccccc3)cc3ccccc32)ccc1C(N)=O.
What is the InChIKey of 2-methyl-4-[[2-(2-phenylindol-1-yl)acetyl]amino]benzamide?
The InChIKey is JYAUSZCJPSRPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-16-13-19(11-12-20(16)24(25)29)26-23(28)15-27-21-10-6-5-9-18(21)14-22(27)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H2,25,29)(H,26,28).
What are the key properties of 2-methyl-4-[[2-(2-phenylindol-1-yl)acetyl]amino]benzamide?
2-methyl-4-[[2-(2-phenylindol-1-yl)acetyl]amino]benzamide has a molecular weight of 383.45 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[2-(2-phenylindol-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 56518035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).