[4-(difluoromethoxy)-3-methoxyphenyl]methyl-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylazanium

C21H25F2N2O3+ — CID 7509381

IUPAC[4-(difluoromethoxy)-3-methoxyphenyl]methyl-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylazanium
SMILESCOc1cc(C[NH+](C)[C@H](C)C(=O)N2CCc3ccccc32)ccc1OC(F)F
InChIInChI=1S/C21H24F2N2O3/c1-14(20(26)25-11-10-16-6-4-5-7-17(16)25)24(2)13-15-8-9-18(28-21(22)23)19(12-15)27-3/h4-9,12,14,21H,10-11,13H2,1-3H3/p+1/t14-/m1/s1
InChIKeyHTVKEVYFMQBVQC-CQSZACIVSA-O
MW391.44 g/mol
LogP2.29
Rot. Bonds7

About [4-(difluoromethoxy)-3-methoxyphenyl]methyl-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylazanium

[4-(difluoromethoxy)-3-methoxyphenyl]methyl-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylazanium (PubChem CID 7509381) has the molecular formula C21H25F2N2O3+ and a molecular weight of 391.44 g/mol. Its IUPAC name is [4-(difluoromethoxy)-3-methoxyphenyl]methyl-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylazanium.

Molecular Properties

Compound Name[4-(difluoromethoxy)-3-methoxyphenyl]methyl-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylazanium
PubChem CID7509381
Molecular FormulaC21H25F2N2O3+
Molecular Weight391.44 g/mol
Exact Mass391.18
IUPAC Name[4-(difluoromethoxy)-3-methoxyphenyl]methyl-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylazanium
SMILESCOc1cc(C[NH+](C)[C@H](C)C(=O)N2CCc3ccccc32)ccc1OC(F)F
InChIInChI=1S/C21H24F2N2O3/c1-14(20(26)25-11-10-16-6-4-5-7-17(16)25)24(2)13-15-8-9-18(28-21(22)23)19(12-15)27-3/h4-9,12,14,21H,10-11,13H2,1-3H3/p+1/t14-/m1/s1
InChIKeyHTVKEVYFMQBVQC-CQSZACIVSA-O
XLogP2.29
TPSA43.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methyl-[(4-methylphenyl)methyl]azanium
CID 8517428
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate
CID 42900917
3-[4-(difluoromethoxy)-3-methoxyphenyl]-1-(2,3-dihydroindol-1-yl)prop-2-en-1-one
CID 3334168
(2S)-1-(2,3-dihydroindol-1-yl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]propan-1-one
CID 2455303
1-(2,3-dihydroindol-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 4943179
1-(2,3-dihydroindol-1-yl)-2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]propan-1-one
CID 78851365
(2R)-1-(2,3-dihydroindol-1-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propan-1-one
CID 8515151
(2S)-1-(2,3-dihydroindol-1-yl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propan-1-one
CID 39948944
(3-methoxy-4-phenylmethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
CID 8694080
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-methylazanium
CID 9104739
(2S)-1-(2,3-dihydroindol-1-yl)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 8774476
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9049765

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)-3-methoxyphenyl]methyl-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylazanium?
The IUPAC name of [4-(difluoromethoxy)-3-methoxyphenyl]methyl-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylazanium (CID 7509381) is [4-(difluoromethoxy)-3-methoxyphenyl]methyl-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylazanium.
What is the SMILES notation for [4-(difluoromethoxy)-3-methoxyphenyl]methyl-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylazanium?
The canonical SMILES for [4-(difluoromethoxy)-3-methoxyphenyl]methyl-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylazanium is COc1cc(C[NH+](C)[C@H](C)C(=O)N2CCc3ccccc32)ccc1OC(F)F.
What is the InChIKey of [4-(difluoromethoxy)-3-methoxyphenyl]methyl-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylazanium?
The InChIKey is HTVKEVYFMQBVQC-CQSZACIVSA-O. The full InChI is InChI=1S/C21H24F2N2O3/c1-14(20(26)25-11-10-16-6-4-5-7-17(16)25)24(2)13-15-8-9-18(28-21(22)23)19(12-15)27-3/h4-9,12,14,21H,10-11,13H2,1-3H3/p+1/t14-/m1/s1.
What are the key properties of [4-(difluoromethoxy)-3-methoxyphenyl]methyl-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylazanium?
[4-(difluoromethoxy)-3-methoxyphenyl]methyl-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylazanium has a molecular weight of 391.44 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)-3-methoxyphenyl]methyl-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylazanium is sourced from PubChem (CID 7509381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).