[2-(4-chloroanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium

C18H22ClN2O2+ — CID 9040057

IUPAC[2-(4-chloroanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
SMILESCOc1ccc(C)cc1C[NH+](C)CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O2/c1-13-4-9-17(23-3)14(10-13)11-21(2)12-18(22)20-16-7-5-15(19)6-8-16/h4-10H,11-12H2,1-3H3,(H,20,22)/p+1
InChIKeyUJFBDMXOMIUYKF-UHFFFAOYSA-O
MW333.84 g/mol
LogP2.31
Rot. Bonds6

About [2-(4-chloroanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium

[2-(4-chloroanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium (PubChem CID 9040057) has the molecular formula C18H22ClN2O2+ and a molecular weight of 333.84 g/mol. Its IUPAC name is [2-(4-chloroanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-(4-chloroanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
PubChem CID9040057
Molecular FormulaC18H22ClN2O2+
Molecular Weight333.84 g/mol
Exact Mass333.14
IUPAC Name[2-(4-chloroanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
SMILESCOc1ccc(C)cc1C[NH+](C)CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O2/c1-13-4-9-17(23-3)14(10-13)11-21(2)12-18(22)20-16-7-5-15(19)6-8-16/h4-10H,11-12H2,1-3H3,(H,20,22)/p+1
InChIKeyUJFBDMXOMIUYKF-UHFFFAOYSA-O
XLogP2.31
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
CID 8805336
(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 8641842
[2-(4-carbamoylanilino)-2-oxoethyl]-[(5-chloro-2-methoxyphenyl)methyl]-methylazanium
CID 9136506
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
CID 8805702
[2-(2,4-dimethoxyanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
CID 8805430
(5-chloro-2-methoxyphenyl)methyl-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylazanium
CID 9136454
(5-chloro-2-methoxyphenyl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8556790
(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
CID 8805412
(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(prop-2-ynylamino)ethyl]azanium
CID 8805826
[2-(2-chloro-4-nitroanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
CID 8805390
(5-bromo-2-methoxyphenyl)methyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylazanium
CID 9103940
(5-chloro-2-methoxyphenyl)methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 9136710

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloroanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium?
The IUPAC name of [2-(4-chloroanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium (CID 9040057) is [2-(4-chloroanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium.
What is the SMILES notation for [2-(4-chloroanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium?
The canonical SMILES for [2-(4-chloroanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium is COc1ccc(C)cc1C[NH+](C)CC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chloroanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium?
The InChIKey is UJFBDMXOMIUYKF-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H21ClN2O2/c1-13-4-9-17(23-3)14(10-13)11-21(2)12-18(22)20-16-7-5-15(19)6-8-16/h4-10H,11-12H2,1-3H3,(H,20,22)/p+1.
What are the key properties of [2-(4-chloroanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium?
[2-(4-chloroanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium has a molecular weight of 333.84 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloroanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium is sourced from PubChem (CID 9040057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).