(2-chlorophenyl)-(1-ethyl-2-phenylindol-3-yl)methanone

C23H18ClNO — CID 154139542

IUPAC(2-chlorophenyl)-(1-ethyl-2-phenylindol-3-yl)methanone
SMILESCCn1c(-c2ccccc2)c(C(=O)c2ccccc2Cl)c2ccccc21
InChIInChI=1S/C23H18ClNO/c1-2-25-20-15-9-7-13-18(20)21(22(25)16-10-4-3-5-11-16)23(26)17-12-6-8-14-19(17)24/h3-15H,2H2,1H3
InChIKeyGMGOAAYOUBDRGR-UHFFFAOYSA-N
MW359.86 g/mol
LogP6.21
Rot. Bonds4

About (2-chlorophenyl)-(1-ethyl-2-phenylindol-3-yl)methanone

(2-chlorophenyl)-(1-ethyl-2-phenylindol-3-yl)methanone (PubChem CID 154139542) has the molecular formula C23H18ClNO and a molecular weight of 359.86 g/mol. Its IUPAC name is (2-chlorophenyl)-(1-ethyl-2-phenylindol-3-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(1-ethyl-2-phenylindol-3-yl)methanone
PubChem CID154139542
Molecular FormulaC23H18ClNO
Molecular Weight359.86 g/mol
Exact Mass359.11
IUPAC Name(2-chlorophenyl)-(1-ethyl-2-phenylindol-3-yl)methanone
SMILESCCn1c(-c2ccccc2)c(C(=O)c2ccccc2Cl)c2ccccc21
InChIInChI=1S/C23H18ClNO/c1-2-25-20-15-9-7-13-18(20)21(22(25)16-10-4-3-5-11-16)23(26)17-12-6-8-14-19(17)24/h3-15H,2H2,1H3
InChIKeyGMGOAAYOUBDRGR-UHFFFAOYSA-N
XLogP6.21
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.86
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)-(1-methyl-2-phenylindol-3-yl)methanone
CID 154119569
2-(2-acetylphenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone
CID 7539637
1-(1-ethyl-2-phenylindol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 17441584
1-(1-ethyl-2-phenylindol-3-yl)-2-(2,3,6-trimethylphenoxy)ethanone
CID 2108508
1-(1-ethyl-2-phenylindol-3-yl)-2-(4-propylpyridin-1-ium-1-yl)ethanone
CID 8877422
1-(1-ethyl-2-phenylindol-3-yl)-2-[10-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl]-4,7,13,16-tetraphenylcyclooctadeca-1,2,3,7,8,9,13,14,15-nonaen-5,11,17-triyn-1-yl]ethanone
CID 102102276
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(1-ethyl-2-phenylindol-3-yl)ethanone
CID 4852617
2-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 3295430
2-(3-ethenylbenzimidazol-1-ium-1-yl)-1-(1-ethyl-2-phenylindol-3-yl)ethanone
CID 8855216
[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] 9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 4836979
[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] pyrazine-2-carboxylate
CID 7259398
1-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-phenylindole-3-carboxamide;hydrochloride
CID 70106637

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(1-ethyl-2-phenylindol-3-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(1-ethyl-2-phenylindol-3-yl)methanone (CID 154139542) is (2-chlorophenyl)-(1-ethyl-2-phenylindol-3-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(1-ethyl-2-phenylindol-3-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(1-ethyl-2-phenylindol-3-yl)methanone is CCn1c(-c2ccccc2)c(C(=O)c2ccccc2Cl)c2ccccc21.
What is the InChIKey of (2-chlorophenyl)-(1-ethyl-2-phenylindol-3-yl)methanone?
The InChIKey is GMGOAAYOUBDRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO/c1-2-25-20-15-9-7-13-18(20)21(22(25)16-10-4-3-5-11-16)23(26)17-12-6-8-14-19(17)24/h3-15H,2H2,1H3.
What are the key properties of (2-chlorophenyl)-(1-ethyl-2-phenylindol-3-yl)methanone?
(2-chlorophenyl)-(1-ethyl-2-phenylindol-3-yl)methanone has a molecular weight of 359.86 g/mol, XLogP of 6.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(1-ethyl-2-phenylindol-3-yl)methanone is sourced from PubChem (CID 154139542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).