3-(3-fluoro-4-methoxyphenyl)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide

C27H27FN2O3 — CID 46533617

IUPAC3-(3-fluoro-4-methoxyphenyl)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(C(CNC(=O)CCc2ccc(OC)c(F)c2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C27H27FN2O3/c1-32-20-11-9-19(10-12-20)22(23-17-29-25-6-4-3-5-21(23)25)16-30-27(31)14-8-18-7-13-26(33-2)24(28)15-18/h3-7,9-13,15,17,22,29H,8,14,16H2,1-2H3,(H,30,31)
InChIKeySTMIXUZCSDKYOP-UHFFFAOYSA-N
MW446.52 g/mol
LogP5.21
Rot. Bonds9

About 3-(3-fluoro-4-methoxyphenyl)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide

3-(3-fluoro-4-methoxyphenyl)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide (PubChem CID 46533617) has the molecular formula C27H27FN2O3 and a molecular weight of 446.52 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
PubChem CID46533617
Molecular FormulaC27H27FN2O3
Molecular Weight446.52 g/mol
Exact Mass446.20
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(C(CNC(=O)CCc2ccc(OC)c(F)c2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C27H27FN2O3/c1-32-20-11-9-19(10-12-20)22(23-17-29-25-6-4-3-5-21(23)25)16-30-27(31)14-8-18-7-13-26(33-2)24(28)15-18/h3-7,9-13,15,17,22,29H,8,14,16H2,1-2H3,(H,30,31)
InChIKeySTMIXUZCSDKYOP-UHFFFAOYSA-N
XLogP5.21
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.52
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
CID 31818454
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]propanamide
CID 31216063
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexanamide
CID 43007542
3-(furan-2-yl)-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 25499108
2-(3,4-dimethylphenoxy)-N-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 35129166
2-(4-chlorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 17014563
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxy-5-methylbenzamide
CID 55395701
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 17014566
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide
CID 17014418
2,5-difluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
CID 43018386
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 128963531

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide (CID 46533617) is 3-(3-fluoro-4-methoxyphenyl)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide is COc1ccc(C(CNC(=O)CCc2ccc(OC)c(F)c2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide?
The InChIKey is STMIXUZCSDKYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN2O3/c1-32-20-11-9-19(10-12-20)22(23-17-29-25-6-4-3-5-21(23)25)16-30-27(31)14-8-18-7-13-26(33-2)24(28)15-18/h3-7,9-13,15,17,22,29H,8,14,16H2,1-2H3,(H,30,31).
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide?
3-(3-fluoro-4-methoxyphenyl)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide has a molecular weight of 446.52 g/mol, XLogP of 5.21, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 46533617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).