2,5-difluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide

C24H20F2N2O2 — CID 43018386

IUPAC2,5-difluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(C(CNC(=O)c2cc(F)ccc2F)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H20F2N2O2/c1-30-17-9-6-15(7-10-17)20(21-14-27-23-5-3-2-4-18(21)23)13-28-24(29)19-12-16(25)8-11-22(19)26/h2-12,14,20,27H,13H2,1H3,(H,28,29)
InChIKeyZSYHDIRASQNWRL-UHFFFAOYSA-N
MW406.43 g/mol
LogP5.02
Rot. Bonds6

About 2,5-difluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide

2,5-difluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide (PubChem CID 43018386) has the molecular formula C24H20F2N2O2 and a molecular weight of 406.43 g/mol. Its IUPAC name is 2,5-difluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
PubChem CID43018386
Molecular FormulaC24H20F2N2O2
Molecular Weight406.43 g/mol
Exact Mass406.15
IUPAC Name2,5-difluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(C(CNC(=O)c2cc(F)ccc2F)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H20F2N2O2/c1-30-17-9-6-15(7-10-17)20(21-14-27-23-5-3-2-4-18(21)23)13-28-24(29)19-12-16(25)8-11-22(19)26/h2-12,14,20,27H,13H2,1H3,(H,28,29)
InChIKeyZSYHDIRASQNWRL-UHFFFAOYSA-N
XLogP5.02
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.43
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
CID 43003893
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide
CID 17014418
4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
CID 35128972
2,4-difluoro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 26243582
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-[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-[(2R)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide
CID 35124184
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1H-indazole-3-carboxamide
CID 43017319
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
CID 31818454

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 2,5-difluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide (CID 43018386) is 2,5-difluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2,5-difluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2,5-difluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide is COc1ccc(C(CNC(=O)c2cc(F)ccc2F)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 2,5-difluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide?
The InChIKey is ZSYHDIRASQNWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N2O2/c1-30-17-9-6-15(7-10-17)20(21-14-27-23-5-3-2-4-18(21)23)13-28-24(29)19-12-16(25)8-11-22(19)26/h2-12,14,20,27H,13H2,1H3,(H,28,29).
What are the key properties of 2,5-difluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide?
2,5-difluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide has a molecular weight of 406.43 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 43018386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).