(2,4-dichlorophenyl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium

C17H19Cl2N2O2+ — CID 9196917

IUPAC(2,4-dichlorophenyl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
SMILESCOc1cccc(NC(=O)C[NH+](C)Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H18Cl2N2O2/c1-21(10-12-6-7-13(18)8-16(12)19)11-17(22)20-14-4-3-5-15(9-14)23-2/h3-9H,10-11H2,1-2H3,(H,20,22)/p+1
InChIKeyNJZDUKZXILQLJW-UHFFFAOYSA-O
MW354.26 g/mol
LogP2.66
Rot. Bonds6

About (2,4-dichlorophenyl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium

(2,4-dichlorophenyl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium (PubChem CID 9196917) has the molecular formula C17H19Cl2N2O2+ and a molecular weight of 354.26 g/mol. Its IUPAC name is (2,4-dichlorophenyl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(2,4-dichlorophenyl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
PubChem CID9196917
Molecular FormulaC17H19Cl2N2O2+
Molecular Weight354.26 g/mol
Exact Mass353.08
IUPAC Name(2,4-dichlorophenyl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
SMILESCOc1cccc(NC(=O)C[NH+](C)Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H18Cl2N2O2/c1-21(10-12-6-7-13(18)8-16(12)19)11-17(22)20-14-4-3-5-15(9-14)23-2/h3-9H,10-11H2,1-2H3,(H,20,22)/p+1
InChIKeyNJZDUKZXILQLJW-UHFFFAOYSA-O
XLogP2.66
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.26
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-methoxyphenyl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8556790
(2-chloro-6-fluorophenyl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9197236
(2,4-dichlorophenyl)methyl-[2-(2-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9196953
(2,4-dichlorophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
CID 9197024
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9166865
2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9196918
(5-chloro-2-methoxyphenyl)methyl-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylazanium
CID 9137199
2-(4-chloro-2-fluorophenyl)-N-(3-methoxyphenyl)acetamide
CID 56920149
(2,4-dichlorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9196973
[2-(3-chloroanilino)-2-oxoethyl]-[(4,5-dimethoxy-2-methylphenyl)methyl]-methylazanium
CID 8550222
[2-(3-methoxyanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8965326
(2-chloro-7-methylsulfanylquinolin-3-yl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8710110

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of (2,4-dichlorophenyl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium (CID 9196917) is (2,4-dichlorophenyl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for (2,4-dichlorophenyl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for (2,4-dichlorophenyl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium is COc1cccc(NC(=O)C[NH+](C)Cc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of (2,4-dichlorophenyl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium?
The InChIKey is NJZDUKZXILQLJW-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H18Cl2N2O2/c1-21(10-12-6-7-13(18)8-16(12)19)11-17(22)20-14-4-3-5-15(9-14)23-2/h3-9H,10-11H2,1-2H3,(H,20,22)/p+1.
What are the key properties of (2,4-dichlorophenyl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium?
(2,4-dichlorophenyl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium has a molecular weight of 354.26 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9196917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).