1-(5-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone

C23H19FN2O2 — CID 86728747

IUPAC1-(5-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone
SMILESCOc1cccc(NC(C(=O)c2c[nH]c3ccc(F)cc23)c2ccccc2)c1
InChIInChI=1S/C23H19FN2O2/c1-28-18-9-5-8-17(13-18)26-22(15-6-3-2-4-7-15)23(27)20-14-25-21-11-10-16(24)12-19(20)21/h2-14,22,25-26H,1H3
InChIKeyOPLOFBVAOKHSFC-UHFFFAOYSA-N
MW374.42 g/mol
LogP5.35
Rot. Bonds6

About 1-(5-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone

1-(5-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone (PubChem CID 86728747) has the molecular formula C23H19FN2O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is 1-(5-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone.

Molecular Properties

Compound Name1-(5-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone
PubChem CID86728747
Molecular FormulaC23H19FN2O2
Molecular Weight374.42 g/mol
Exact Mass374.14
IUPAC Name1-(5-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone
SMILESCOc1cccc(NC(C(=O)c2c[nH]c3ccc(F)cc23)c2ccccc2)c1
InChIInChI=1S/C23H19FN2O2/c1-28-18-9-5-8-17(13-18)26-22(15-6-3-2-4-7-15)23(27)20-14-25-21-11-10-16(24)12-19(20)21/h2-14,22,25-26H,1H3
InChIKeyOPLOFBVAOKHSFC-UHFFFAOYSA-N
XLogP5.35
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.42
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 56841530
Jwh 250
CID 44397540
2-(4-Methoxyphenyl)-1-(1-pentylindol-3-YL)ethanone
CID 44397641
Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI)
CID 211017
SR-18
CID 53394099
Bpr-0L075
CID 10359957
Koeniginequinone A
CID 11264975
4-(benzyloxy)-1H-indole-3-carbaldehyde
CID 7015846
5-Methoxyindole-3-carbaldehyde
CID 82758
5-(phenylmethoxy)-1H-indole-3-carbaldehyde
CID 81398
6-Methoxy-1-methyl-1H-indole-3-carbaldehyde
CID 1382010
2-(1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 5315108

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone?
The IUPAC name of 1-(5-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone (CID 86728747) is 1-(5-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone.
What is the SMILES notation for 1-(5-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone?
The canonical SMILES for 1-(5-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone is COc1cccc(NC(C(=O)c2c[nH]c3ccc(F)cc23)c2ccccc2)c1.
What is the InChIKey of 1-(5-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone?
The InChIKey is OPLOFBVAOKHSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O2/c1-28-18-9-5-8-17(13-18)26-22(15-6-3-2-4-7-15)23(27)20-14-25-21-11-10-16(24)12-19(20)21/h2-14,22,25-26H,1H3.
What are the key properties of 1-(5-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone?
1-(5-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone has a molecular weight of 374.42 g/mol, XLogP of 5.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone is sourced from PubChem (CID 86728747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).