2-(difluoromethoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-methoxybenzamide

C26H24F2N2O4 — CID 55343782

IUPAC2-(difluoromethoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-methoxybenzamide
SMILESCOc1ccc(C(CNC(=O)c2cccc(OC)c2OC(F)F)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C26H24F2N2O4/c1-32-17-12-10-16(11-13-17)20(21-15-29-22-8-4-3-6-18(21)22)14-30-25(31)19-7-5-9-23(33-2)24(19)34-26(27)28/h3-13,15,20,26,29H,14H2,1-2H3,(H,30,31)
InChIKeyJAMRJOUGIQMHGL-UHFFFAOYSA-N
MW466.48 g/mol
LogP5.35
Rot. Bonds9

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

2-(difluoromethoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-methoxybenzamide (PubChem CID 55343782) has the molecular formula C26H24F2N2O4 and a molecular weight of 466.48 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-methoxybenzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-methoxybenzamide
PubChem CID55343782
Molecular FormulaC26H24F2N2O4
Molecular Weight466.48 g/mol
Exact Mass466.17
IUPAC Name2-(difluoromethoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-methoxybenzamide
SMILESCOc1ccc(C(CNC(=O)c2cccc(OC)c2OC(F)F)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C26H24F2N2O4/c1-32-17-12-10-16(11-13-17)20(21-15-29-22-8-4-3-6-18(21)22)14-30-25(31)19-7-5-9-23(33-2)24(19)34-26(27)28/h3-13,15,20,26,29H,14H2,1-2H3,(H,30,31)
InChIKeyJAMRJOUGIQMHGL-UHFFFAOYSA-N
XLogP5.35
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.48
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
2,5-difluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
CID 43018386
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]-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
4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
CID 35128972
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
CID 31818454
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 2459996
2-(4-fluorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 17014560

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-methoxybenzamide?
The IUPAC name of 2-(difluoromethoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-methoxybenzamide (CID 55343782) is 2-(difluoromethoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-methoxybenzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-methoxybenzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-methoxybenzamide is COc1ccc(C(CNC(=O)c2cccc(OC)c2OC(F)F)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 2-(difluoromethoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-methoxybenzamide?
The InChIKey is JAMRJOUGIQMHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N2O4/c1-32-17-12-10-16(11-13-17)20(21-15-29-22-8-4-3-6-18(21)22)14-30-25(31)19-7-5-9-23(33-2)24(19)34-26(27)28/h3-13,15,20,26,29H,14H2,1-2H3,(H,30,31).
What are the key properties of 2-(difluoromethoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-methoxybenzamide?
2-(difluoromethoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-methoxybenzamide has a molecular weight of 466.48 g/mol, XLogP of 5.35, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-methoxybenzamide is sourced from PubChem (CID 55343782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).