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

C24H21FN2O2 — CID 43003893

IUPAC3-fluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(C(CNC(=O)c2cccc(F)c2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H21FN2O2/c1-29-19-11-9-16(10-12-19)21(22-15-26-23-8-3-2-7-20(22)23)14-27-24(28)17-5-4-6-18(25)13-17/h2-13,15,21,26H,14H2,1H3,(H,27,28)
InChIKeyMHHMMGYAUNVIJE-UHFFFAOYSA-N
MW388.44 g/mol
LogP4.88
Rot. Bonds6

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

3-fluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide (PubChem CID 43003893) has the molecular formula C24H21FN2O2 and a molecular weight of 388.44 g/mol. Its IUPAC name is 3-fluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
PubChem CID43003893
Molecular FormulaC24H21FN2O2
Molecular Weight388.44 g/mol
Exact Mass388.16
IUPAC Name3-fluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(C(CNC(=O)c2cccc(F)c2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H21FN2O2/c1-29-19-11-9-16(10-12-19)21(22-15-26-23-8-3-2-7-20(22)23)14-27-24(28)17-5-4-6-18(25)13-17/h2-13,15,21,26H,14H2,1H3,(H,27,28)
InChIKeyMHHMMGYAUNVIJE-UHFFFAOYSA-N
XLogP4.88
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-difluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
CID 43018386
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-(methanesulfonamido)benzamide
CID 37311265
N-[(2R)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide
CID 35124184
4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
CID 35128972
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide
CID 17014418
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxy-5-methylbenzamide
CID 55395701
2-(4-fluorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 17014560
2-(difluoromethoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-methoxybenzamide
CID 55343782
N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide
CID 35126814
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 60521295
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1H-indazole-3-carboxamide
CID 43017319

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide (CID 43003893) is 3-fluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide is COc1ccc(C(CNC(=O)c2cccc(F)c2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 3-fluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide?
The InChIKey is MHHMMGYAUNVIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O2/c1-29-19-11-9-16(10-12-19)21(22-15-26-23-8-3-2-7-20(22)23)14-27-24(28)17-5-4-6-18(25)13-17/h2-13,15,21,26H,14H2,1H3,(H,27,28).
What are the key properties of 3-fluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide?
3-fluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide has a molecular weight of 388.44 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 43003893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).