N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,5-dimethyl-1H-indol-3-yl)-N-methylacetamide

C22H24F2N2O3 — CID 31884295

IUPACN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,5-dimethyl-1H-indol-3-yl)-N-methylacetamide
SMILESCOc1cc(CN(C)C(=O)Cc2c(C)[nH]c3ccc(C)cc23)ccc1OC(F)F
InChIInChI=1S/C22H24F2N2O3/c1-13-5-7-18-17(9-13)16(14(2)25-18)11-21(27)26(3)12-15-6-8-19(29-22(23)24)20(10-15)28-4/h5-10,22,25H,11-12H2,1-4H3
InChIKeyIZVZRKKJQQEZIM-UHFFFAOYSA-N
MW402.44 g/mol
LogP4.60
Rot. Bonds7

About N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,5-dimethyl-1H-indol-3-yl)-N-methylacetamide

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,5-dimethyl-1H-indol-3-yl)-N-methylacetamide (PubChem CID 31884295) has the molecular formula C22H24F2N2O3 and a molecular weight of 402.44 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,5-dimethyl-1H-indol-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,5-dimethyl-1H-indol-3-yl)-N-methylacetamide
PubChem CID31884295
Molecular FormulaC22H24F2N2O3
Molecular Weight402.44 g/mol
Exact Mass402.18
IUPAC NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,5-dimethyl-1H-indol-3-yl)-N-methylacetamide
SMILESCOc1cc(CN(C)C(=O)Cc2c(C)[nH]c3ccc(C)cc23)ccc1OC(F)F
InChIInChI=1S/C22H24F2N2O3/c1-13-5-7-18-17(9-13)16(14(2)25-18)11-21(27)26(3)12-15-6-8-19(29-22(23)24)20(10-15)28-4/h5-10,22,25H,11-12H2,1-4H3
InChIKeyIZVZRKKJQQEZIM-UHFFFAOYSA-N
XLogP4.60
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.44
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(4-sulfamoylphenyl)acetamide
CID 56550038
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 8809759
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 92786673
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-N',N'-dipropylpentanediamide
CID 56550163
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-2-oxoethyl]-2-methylbutanamide
CID 55930131
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 55409823
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-hydroxy-N-methylbenzamide
CID 31153420
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]propanoic acid
CID 60648152
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methylacetamide
CID 55578791
3-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-1H-indole-2-carboxamide
CID 55911154
2-(4-acetyl-2-methoxyphenoxy)-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylacetamide
CID 55612142
5-bromo-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-2-oxoethyl]furan-2-carboxamide
CID 27781128

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,5-dimethyl-1H-indol-3-yl)-N-methylacetamide?
The IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,5-dimethyl-1H-indol-3-yl)-N-methylacetamide (CID 31884295) is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,5-dimethyl-1H-indol-3-yl)-N-methylacetamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,5-dimethyl-1H-indol-3-yl)-N-methylacetamide?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,5-dimethyl-1H-indol-3-yl)-N-methylacetamide is COc1cc(CN(C)C(=O)Cc2c(C)[nH]c3ccc(C)cc23)ccc1OC(F)F.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,5-dimethyl-1H-indol-3-yl)-N-methylacetamide?
The InChIKey is IZVZRKKJQQEZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O3/c1-13-5-7-18-17(9-13)16(14(2)25-18)11-21(27)26(3)12-15-6-8-19(29-22(23)24)20(10-15)28-4/h5-10,22,25H,11-12H2,1-4H3.
What are the key properties of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,5-dimethyl-1H-indol-3-yl)-N-methylacetamide?
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,5-dimethyl-1H-indol-3-yl)-N-methylacetamide has a molecular weight of 402.44 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,5-dimethyl-1H-indol-3-yl)-N-methylacetamide is sourced from PubChem (CID 31884295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).