(5-chloro-2-methoxyphenyl)methyl-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylazanium

C18H21Cl2N2O2+ — CID 9136454

IUPAC(5-chloro-2-methoxyphenyl)methyl-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylazanium
SMILESCOc1ccc(Cl)cc1C[NH+](C)CC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C18H20Cl2N2O2/c1-12-4-5-15(20)9-16(12)21-18(23)11-22(2)10-13-8-14(19)6-7-17(13)24-3/h4-9H,10-11H2,1-3H3,(H,21,23)/p+1
InChIKeyCZFDEGMEYJJBMQ-UHFFFAOYSA-O
MW368.28 g/mol
LogP2.96
Rot. Bonds6

About (5-chloro-2-methoxyphenyl)methyl-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylazanium

(5-chloro-2-methoxyphenyl)methyl-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylazanium (PubChem CID 9136454) has the molecular formula C18H21Cl2N2O2+ and a molecular weight of 368.28 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)methyl-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)methyl-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylazanium
PubChem CID9136454
Molecular FormulaC18H21Cl2N2O2+
Molecular Weight368.28 g/mol
Exact Mass367.10
IUPAC Name(5-chloro-2-methoxyphenyl)methyl-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylazanium
SMILESCOc1ccc(Cl)cc1C[NH+](C)CC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C18H20Cl2N2O2/c1-12-4-5-15(20)9-16(12)21-18(23)11-22(2)10-13-8-14(19)6-7-17(13)24-3/h4-9H,10-11H2,1-3H3,(H,21,23)/p+1
InChIKeyCZFDEGMEYJJBMQ-UHFFFAOYSA-O
XLogP2.96
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (5-chloro-2-methoxyphenyl)methyl-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

(5-chloro-2-methoxyphenyl)methyl-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]-methylazanium
CID 9136510
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-[(5-chloro-2-methoxyphenyl)methyl]-methylazanium
CID 9136464
(5-chloro-2-methoxyphenyl)methyl-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9136538
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 9034874
(5-chloro-2-methoxyphenyl)methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 9136710
[2-(4-chloroanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
CID 9040057
(5-chloro-2-methoxyphenyl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8556790
[2-(4-carbamoylanilino)-2-oxoethyl]-[(5-chloro-2-methoxyphenyl)methyl]-methylazanium
CID 9136506
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
CID 9053942
(5-chloro-2-methoxyphenyl)methyl-methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]azanium
CID 9136616
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(2-cyanophenyl)methyl]-methylazanium
CID 8793980
[2-(2,5-dichloroanilino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium
CID 2698887

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)methyl-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of (5-chloro-2-methoxyphenyl)methyl-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylazanium (CID 9136454) is (5-chloro-2-methoxyphenyl)methyl-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)methyl-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for (5-chloro-2-methoxyphenyl)methyl-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylazanium is COc1ccc(Cl)cc1C[NH+](C)CC(=O)Nc1cc(Cl)ccc1C.
What is the InChIKey of (5-chloro-2-methoxyphenyl)methyl-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylazanium?
The InChIKey is CZFDEGMEYJJBMQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H20Cl2N2O2/c1-12-4-5-15(20)9-16(12)21-18(23)11-22(2)10-13-8-14(19)6-7-17(13)24-3/h4-9H,10-11H2,1-3H3,(H,21,23)/p+1.
What are the key properties of (5-chloro-2-methoxyphenyl)methyl-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylazanium?
(5-chloro-2-methoxyphenyl)methyl-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylazanium has a molecular weight of 368.28 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)methyl-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9136454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).