1-[2-fluoro-6-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]phenyl]ethanone

C25H23FN2O2 — CID 55431981

IUPAC1-[2-fluoro-6-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]phenyl]ethanone
SMILESCOc1ccc(C(CNc2cccc(F)c2C(C)=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C25H23FN2O2/c1-16(29)25-22(26)7-5-9-24(25)28-14-20(17-10-12-18(30-2)13-11-17)21-15-27-23-8-4-3-6-19(21)23/h3-13,15,20,27-28H,14H2,1-2H3
InChIKeyTXCUZJNVEBGMON-UHFFFAOYSA-N
MW402.47 g/mol
LogP5.76
Rot. Bonds7

About 1-[2-fluoro-6-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]phenyl]ethanone

1-[2-fluoro-6-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]phenyl]ethanone (PubChem CID 55431981) has the molecular formula C25H23FN2O2 and a molecular weight of 402.47 g/mol. Its IUPAC name is 1-[2-fluoro-6-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-fluoro-6-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]phenyl]ethanone
PubChem CID55431981
Molecular FormulaC25H23FN2O2
Molecular Weight402.47 g/mol
Exact Mass402.17
IUPAC Name1-[2-fluoro-6-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]phenyl]ethanone
SMILESCOc1ccc(C(CNc2cccc(F)c2C(C)=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C25H23FN2O2/c1-16(29)25-22(26)7-5-9-24(25)28-14-20(17-10-12-18(30-2)13-11-17)21-15-27-23-8-4-3-6-19(21)23/h3-13,15,20,27-28H,14H2,1-2H3
InChIKeyTXCUZJNVEBGMON-UHFFFAOYSA-N
XLogP5.76
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.47
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
CID 43003893
2,5-difluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
CID 43018386
2,6-difluoro-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 46553423
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063
2-(4-fluorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 17014560
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
CID 31818454
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide
CID 17014418
1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 40880801
4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
CID 35128972
(2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide
CID 8645036
2-(difluoromethoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-methoxybenzamide
CID 55343782
3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 58088410

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]phenyl]ethanone?
The IUPAC name of 1-[2-fluoro-6-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]phenyl]ethanone (CID 55431981) is 1-[2-fluoro-6-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[2-fluoro-6-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]phenyl]ethanone?
The canonical SMILES for 1-[2-fluoro-6-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]phenyl]ethanone is COc1ccc(C(CNc2cccc(F)c2C(C)=O)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 1-[2-fluoro-6-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]phenyl]ethanone?
The InChIKey is TXCUZJNVEBGMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O2/c1-16(29)25-22(26)7-5-9-24(25)28-14-20(17-10-12-18(30-2)13-11-17)21-15-27-23-8-4-3-6-19(21)23/h3-13,15,20,27-28H,14H2,1-2H3.
What are the key properties of 1-[2-fluoro-6-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]phenyl]ethanone?
1-[2-fluoro-6-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]phenyl]ethanone has a molecular weight of 402.47 g/mol, XLogP of 5.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]phenyl]ethanone is sourced from PubChem (CID 55431981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).