[2-(2,5-dichloroanilino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium

C18H21Cl2N2O3+ — CID 2698887

IUPAC[2-(2,5-dichloroanilino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium
SMILESCOc1ccc(C[NH+](C)CC(=O)Nc2cc(Cl)ccc2Cl)cc1OC
InChIInChI=1S/C18H20Cl2N2O3/c1-22(10-12-4-7-16(24-2)17(8-12)25-3)11-18(23)21-15-9-13(19)5-6-14(15)20/h4-9H,10-11H2,1-3H3,(H,21,23)/p+1
InChIKeyQTYMXNMPXLSHJD-UHFFFAOYSA-O
MW384.28 g/mol
LogP2.66
Rot. Bonds7

About [2-(2,5-dichloroanilino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium

[2-(2,5-dichloroanilino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium (PubChem CID 2698887) has the molecular formula C18H21Cl2N2O3+ and a molecular weight of 384.28 g/mol. Its IUPAC name is [2-(2,5-dichloroanilino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-(2,5-dichloroanilino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium
PubChem CID2698887
Molecular FormulaC18H21Cl2N2O3+
Molecular Weight384.28 g/mol
Exact Mass383.09
IUPAC Name[2-(2,5-dichloroanilino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium
SMILESCOc1ccc(C[NH+](C)CC(=O)Nc2cc(Cl)ccc2Cl)cc1OC
InChIInChI=1S/C18H20Cl2N2O3/c1-22(10-12-4-7-16(24-2)17(8-12)25-3)11-18(23)21-15-9-13(19)5-6-14(15)20/h4-9H,10-11H2,1-3H3,(H,21,23)/p+1
InChIKeyQTYMXNMPXLSHJD-UHFFFAOYSA-O
XLogP2.66
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,5-dichloroanilino)-2-oxoethyl]-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium
CID 2495726
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 9432682
[2-(2,6-dichloroanilino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium
CID 2698907
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 2698245
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(4-cyanophenyl)methyl]-methylazanium
CID 9222357
(3,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 2657545
(3,4-dimethoxyphenyl)methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 2657497
(5-chloro-2-methoxyphenyl)methyl-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylazanium
CID 9136454
N-(2,5-dichlorophenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 33073942
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
CID 9053942
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium
CID 8798739
(3,4-dichlorophenyl)methyl-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-methylazanium
CID 9251612

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dichloroanilino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium?
The IUPAC name of [2-(2,5-dichloroanilino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium (CID 2698887) is [2-(2,5-dichloroanilino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium.
What is the SMILES notation for [2-(2,5-dichloroanilino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium?
The canonical SMILES for [2-(2,5-dichloroanilino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium is COc1ccc(C[NH+](C)CC(=O)Nc2cc(Cl)ccc2Cl)cc1OC.
What is the InChIKey of [2-(2,5-dichloroanilino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium?
The InChIKey is QTYMXNMPXLSHJD-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H20Cl2N2O3/c1-22(10-12-4-7-16(24-2)17(8-12)25-3)11-18(23)21-15-9-13(19)5-6-14(15)20/h4-9H,10-11H2,1-3H3,(H,21,23)/p+1.
What are the key properties of [2-(2,5-dichloroanilino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium?
[2-(2,5-dichloroanilino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium has a molecular weight of 384.28 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dichloroanilino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium is sourced from PubChem (CID 2698887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).