2-(4-chloro-3-methylphenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone

C25H22ClNO2 — CID 2522463

IUPAC2-(4-chloro-3-methylphenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone
SMILESCCn1c(-c2ccccc2)c(C(=O)COc2ccc(Cl)c(C)c2)c2ccccc21
InChIInChI=1S/C25H22ClNO2/c1-3-27-22-12-8-7-11-20(22)24(25(27)18-9-5-4-6-10-18)23(28)16-29-19-13-14-21(26)17(2)15-19/h4-15H,3,16H2,1-2H3
InChIKeyKJZBMKLQLYSELY-UHFFFAOYSA-N
MW403.91 g/mol
LogP6.55
Rot. Bonds6

About 2-(4-chloro-3-methylphenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone

2-(4-chloro-3-methylphenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone (PubChem CID 2522463) has the molecular formula C25H22ClNO2 and a molecular weight of 403.91 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone
PubChem CID2522463
Molecular FormulaC25H22ClNO2
Molecular Weight403.91 g/mol
Exact Mass403.13
IUPAC Name2-(4-chloro-3-methylphenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone
SMILESCCn1c(-c2ccccc2)c(C(=O)COc2ccc(Cl)c(C)c2)c2ccccc21
InChIInChI=1S/C25H22ClNO2/c1-3-27-22-12-8-7-11-20(22)24(25(27)18-9-5-4-6-10-18)23(28)16-29-19-13-14-21(26)17(2)15-19/h4-15H,3,16H2,1-2H3
InChIKeyKJZBMKLQLYSELY-UHFFFAOYSA-N
XLogP6.55
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.91
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

LM-4108
CID 4292
Indomethacin Morpholinylamide
CID 2415
3-acetyl-1-(4-ethoxyphenyl)-2-methyl-1H-indol-5-yl acetate
CID 1150669
Jwh-253
CID 44397405
(S)-2-(3-((3-(4-chlorobenzoyl)-2-methyl-6-(trifluoromethoxy)-1H-indol-1-yl)methyl)phenoxy)propanoic acid
CID 44190592
Butanoic acid,2-[3-[[3-(4-chlorobenzoyl)-2-methyl-6-(trifluoromethoxy)-1H-indol-1-yl]methyl]phenoxy]-,(2R)-
CID 44190675
1-[1-(4-Ethoxyphenyl)-5-hydroxy-2-methylindol-3-yl]ethanone
CID 786617
N'-[(E)-(2-chlorophenyl)methylidene]-5-methoxy-1,2-dimethyl-1H-indole-3-carbohydrazide
CID 6878537
(tert-Butoxycarbonyl)methyl 2-(1-((4-chlorophenyl)carbonyl)-5-methoxy-2-methylindol-3-yl)acetate
CID 13388202
IF 31
CID 44413
1h-Indole-3-acetic acid,1-(4-chlorobenzoyl)-5-methoxy-2-methyl-,2-phenylethyl ester
CID 10457034
2-(4-chlorophenoxy)-1-methyl-1H-indole-3-carbaldehyde
CID 2763801

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone (CID 2522463) is 2-(4-chloro-3-methylphenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone is CCn1c(-c2ccccc2)c(C(=O)COc2ccc(Cl)c(C)c2)c2ccccc21.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone?
The InChIKey is KJZBMKLQLYSELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClNO2/c1-3-27-22-12-8-7-11-20(22)24(25(27)18-9-5-4-6-10-18)23(28)16-29-19-13-14-21(26)17(2)15-19/h4-15H,3,16H2,1-2H3.
What are the key properties of 2-(4-chloro-3-methylphenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone?
2-(4-chloro-3-methylphenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone has a molecular weight of 403.91 g/mol, XLogP of 6.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone is sourced from PubChem (CID 2522463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).