2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-(1H-indol-3-yl)ethanone

C20H20F2N2O3 — CID 2452418

IUPAC2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-(1H-indol-3-yl)ethanone
SMILESCOc1cc(CN(C)CC(=O)c2c[nH]c3ccccc23)ccc1OC(F)F
InChIInChI=1S/C20H20F2N2O3/c1-24(11-13-7-8-18(27-20(21)22)19(9-13)26-2)12-17(25)15-10-23-16-6-4-3-5-14(15)16/h3-10,20,23H,11-12H2,1-2H3
InChIKeyOERXFSRZHPPURL-UHFFFAOYSA-N
MW374.39 g/mol
LogP4.09
Rot. Bonds8

About 2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-(1H-indol-3-yl)ethanone

2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-(1H-indol-3-yl)ethanone (PubChem CID 2452418) has the molecular formula C20H20F2N2O3 and a molecular weight of 374.39 g/mol. Its IUPAC name is 2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-(1H-indol-3-yl)ethanone
PubChem CID2452418
Molecular FormulaC20H20F2N2O3
Molecular Weight374.39 g/mol
Exact Mass374.14
IUPAC Name2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-(1H-indol-3-yl)ethanone
SMILESCOc1cc(CN(C)CC(=O)c2c[nH]c3ccccc23)ccc1OC(F)F
InChIInChI=1S/C20H20F2N2O3/c1-24(11-13-7-8-18(27-20(21)22)19(9-13)26-2)12-17(25)15-10-23-16-6-4-3-5-14(15)16/h3-10,20,23H,11-12H2,1-2H3
InChIKeyOERXFSRZHPPURL-UHFFFAOYSA-N
XLogP4.09
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 9104719
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]propanoic acid
CID 60648152
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(2-methylphenyl)acetamide
CID 40712202
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 8794511
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-hydroxy-N-methylbenzamide
CID 31153420
1-(1H-indol-3-yl)-2-[2-methoxyethyl(methyl)amino]ethanone
CID 61036275
2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 8694916
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-phenylpropanamide
CID 46429061
1-(1H-indol-3-yl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 60650536
N-(2,3-dichlorophenyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]acetamide
CID 16555115
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2541033
N-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 38112263

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-(1H-indol-3-yl)ethanone?
The IUPAC name of 2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-(1H-indol-3-yl)ethanone (CID 2452418) is 2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-(1H-indol-3-yl)ethanone?
The canonical SMILES for 2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-(1H-indol-3-yl)ethanone is COc1cc(CN(C)CC(=O)c2c[nH]c3ccccc23)ccc1OC(F)F.
What is the InChIKey of 2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-(1H-indol-3-yl)ethanone?
The InChIKey is OERXFSRZHPPURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O3/c1-24(11-13-7-8-18(27-20(21)22)19(9-13)26-2)12-17(25)15-10-23-16-6-4-3-5-14(15)16/h3-10,20,23H,11-12H2,1-2H3.
What are the key properties of 2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-(1H-indol-3-yl)ethanone?
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-(1H-indol-3-yl)ethanone has a molecular weight of 374.39 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 2452418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).