cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium

C19H20Cl3N2O2+ — CID 8770051

IUPACcyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium
SMILESCOc1ccc(C[NH+](CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C2CC2)cc1
InChIInChI=1S/C19H19Cl3N2O2/c1-26-15-6-2-12(3-7-15)10-24(14-4-5-14)11-18(25)23-19-16(21)8-13(20)9-17(19)22/h2-3,6-9,14H,4-5,10-11H2,1H3,(H,23,25)/p+1
InChIKeyWWNPHSMTTJUGFX-UHFFFAOYSA-O
MW414.74 g/mol
LogP3.84
Rot. Bonds7

About cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium

cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium (PubChem CID 8770051) has the molecular formula C19H20Cl3N2O2+ and a molecular weight of 414.74 g/mol. Its IUPAC name is cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium.

Molecular Properties

Compound Namecyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium
PubChem CID8770051
Molecular FormulaC19H20Cl3N2O2+
Molecular Weight414.74 g/mol
Exact Mass413.06
IUPAC Namecyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium
SMILESCOc1ccc(C[NH+](CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C2CC2)cc1
InChIInChI=1S/C19H19Cl3N2O2/c1-26-15-6-2-12(3-7-15)10-24(14-4-5-14)11-18(25)23-19-16(21)8-13(20)9-17(19)22/h2-3,6-9,14H,4-5,10-11H2,1H3,(H,23,25)/p+1
InChIKeyWWNPHSMTTJUGFX-UHFFFAOYSA-O
XLogP3.84
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.74
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methoxyphenyl)methyl-methyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium
CID 8761435
cyclopropyl-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium
CID 8770287
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]azanium
CID 8770037
cyclopropyl-[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium
CID 8770655
cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 8770300
2-[(4-methoxyphenyl)methyl-methylamino]-N-(2,4,6-trichlorophenyl)acetamide
CID 8761436
cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
CID 8770207
cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium
CID 8770486
[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]azanium
CID 8770636
cyclopropyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium
CID 8770863
cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8872645
cyclopropyl-[2-(2-methoxyanilino)-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium
CID 8915560

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium?
The IUPAC name of cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium (CID 8770051) is cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium.
What is the SMILES notation for cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium?
The canonical SMILES for cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium is COc1ccc(C[NH+](CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C2CC2)cc1.
What is the InChIKey of cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium?
The InChIKey is WWNPHSMTTJUGFX-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H19Cl3N2O2/c1-26-15-6-2-12(3-7-15)10-24(14-4-5-14)11-18(25)23-19-16(21)8-13(20)9-17(19)22/h2-3,6-9,14H,4-5,10-11H2,1H3,(H,23,25)/p+1.
What are the key properties of cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium?
cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium has a molecular weight of 414.74 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium is sourced from PubChem (CID 8770051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).