(2-benzoyl-6-ethyl-1H-indol-3-yl)-phenylmethanone

C24H19NO2 — CID 134938636

IUPAC(2-benzoyl-6-ethyl-1H-indol-3-yl)-phenylmethanone
SMILESCCc1ccc2c(C(=O)c3ccccc3)c(C(=O)c3ccccc3)[nH]c2c1
InChIInChI=1S/C24H19NO2/c1-2-16-13-14-19-20(15-16)25-22(24(27)18-11-7-4-8-12-18)21(19)23(26)17-9-5-3-6-10-17/h3-15,25H,2H2,1H3
InChIKeySIOREYSWUQSGEP-UHFFFAOYSA-N
MW353.42 g/mol
LogP5.19
Rot. Bonds5

About (2-benzoyl-6-ethyl-1H-indol-3-yl)-phenylmethanone

(2-benzoyl-6-ethyl-1H-indol-3-yl)-phenylmethanone (PubChem CID 134938636) has the molecular formula C24H19NO2 and a molecular weight of 353.42 g/mol. Its IUPAC name is (2-benzoyl-6-ethyl-1H-indol-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-benzoyl-6-ethyl-1H-indol-3-yl)-phenylmethanone
PubChem CID134938636
Molecular FormulaC24H19NO2
Molecular Weight353.42 g/mol
Exact Mass353.14
IUPAC Name(2-benzoyl-6-ethyl-1H-indol-3-yl)-phenylmethanone
SMILESCCc1ccc2c(C(=O)c3ccccc3)c(C(=O)c3ccccc3)[nH]c2c1
InChIInChI=1S/C24H19NO2/c1-2-16-13-14-19-20(15-16)25-22(24(27)18-11-7-4-8-12-18)21(19)23(26)17-9-5-3-6-10-17/h3-15,25H,2H2,1H3
InChIKeySIOREYSWUQSGEP-UHFFFAOYSA-N
XLogP5.19
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.42
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-benzoyl-6-ethyl-1H-indol-3-yl)-phenylmethanone 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

3-benzoyl-1H-indole-2-carboxylic acid
CID 22917099
(6-ethylnaphthalen-1-yl)-phenylmethanone
CID 67944513
(5-ethyl-2-hydroxyphenyl)-phenylmethanone
CID 13149653
(5-ethyl-3-methyl-1H-pyrrol-2-yl)-phenylmethanone
CID 14612003
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-3-oxobutanamide
CID 18368229
(2-hydroxy-6-iodo-1H-indol-3-yl)-phenylmethanone
CID 136618172
N-(2-benzoyl-6-fluoro-1H-indol-3-yl)acetamide
CID 18368049
N-[(2-benzoyl-6-chloro-1H-indol-3-yl)methyl]acetamide
CID 174434623
(2-fluoro-1H-indol-3-yl)-phenylmethanone
CID 175455866
3-(3,4-dichlorophenyl)sulfanyl-6-ethyl-1H-indole-2-carboxylic acid
CID 71625515
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-phenylmethoxyacetamide
CID 18368072
(3-ethenyl-1H-indol-2-yl)-phenylmethanone
CID 102499335

Frequently Asked Questions

What is the IUPAC name of (2-benzoyl-6-ethyl-1H-indol-3-yl)-phenylmethanone?
The IUPAC name of (2-benzoyl-6-ethyl-1H-indol-3-yl)-phenylmethanone (CID 134938636) is (2-benzoyl-6-ethyl-1H-indol-3-yl)-phenylmethanone.
What is the SMILES notation for (2-benzoyl-6-ethyl-1H-indol-3-yl)-phenylmethanone?
The canonical SMILES for (2-benzoyl-6-ethyl-1H-indol-3-yl)-phenylmethanone is CCc1ccc2c(C(=O)c3ccccc3)c(C(=O)c3ccccc3)[nH]c2c1.
What is the InChIKey of (2-benzoyl-6-ethyl-1H-indol-3-yl)-phenylmethanone?
The InChIKey is SIOREYSWUQSGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO2/c1-2-16-13-14-19-20(15-16)25-22(24(27)18-11-7-4-8-12-18)21(19)23(26)17-9-5-3-6-10-17/h3-15,25H,2H2,1H3.
What are the key properties of (2-benzoyl-6-ethyl-1H-indol-3-yl)-phenylmethanone?
(2-benzoyl-6-ethyl-1H-indol-3-yl)-phenylmethanone has a molecular weight of 353.42 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzoyl-6-ethyl-1H-indol-3-yl)-phenylmethanone is sourced from PubChem (CID 134938636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).