(3,4-dichlorophenyl)methyl-methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium

C20H24Cl2N3O2+ — CID 9251455

IUPAC(3,4-dichlorophenyl)methyl-methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
SMILESCc1ccc(NC(=O)CN(C)C(=O)C[NH+](C)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C20H23Cl2N3O2/c1-14-4-7-16(8-5-14)23-19(26)12-25(3)20(27)13-24(2)11-15-6-9-17(21)18(22)10-15/h4-10H,11-13H2,1-3H3,(H,23,26)/p+1
InChIKeyIQGZLKQJAXDAQE-UHFFFAOYSA-O
MW409.34 g/mol
LogP2.41
Rot. Bonds7

About (3,4-dichlorophenyl)methyl-methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium

(3,4-dichlorophenyl)methyl-methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium (PubChem CID 9251455) has the molecular formula C20H24Cl2N3O2+ and a molecular weight of 409.34 g/mol. Its IUPAC name is (3,4-dichlorophenyl)methyl-methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name(3,4-dichlorophenyl)methyl-methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
PubChem CID9251455
Molecular FormulaC20H24Cl2N3O2+
Molecular Weight409.34 g/mol
Exact Mass408.12
IUPAC Name(3,4-dichlorophenyl)methyl-methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
SMILESCc1ccc(NC(=O)CN(C)C(=O)C[NH+](C)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C20H23Cl2N3O2/c1-14-4-7-16(8-5-14)23-19(26)12-25(3)20(27)13-24(2)11-15-6-9-17(21)18(22)10-15/h4-10H,11-13H2,1-3H3,(H,23,26)/p+1
InChIKeyIQGZLKQJAXDAQE-UHFFFAOYSA-O
XLogP2.41
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dichlorophenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 2714126
2-(3,4-dichlorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 2672755
[2-(dimethylamino)-2-oxoethyl]-methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 8712336
2-[(3,4-dichlorophenyl)carbamoyl-methylamino]-N-(4-methylphenyl)acetamide
CID 27869715
(3,4-dichlorophenyl)methyl-[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium
CID 2699988
2-(5-acetamido-2-chloroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 56512821
(E)-3-(3,4-dichlorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]prop-2-enamide
CID 9494338
[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8785660
2-[methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 40696364
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2,5-dichlorobenzoate
CID 2487559
2-(3,4-dichlorophenyl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 7925219
[2-[benzyl(methyl)amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8588781

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)methyl-methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium?
The IUPAC name of (3,4-dichlorophenyl)methyl-methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium (CID 9251455) is (3,4-dichlorophenyl)methyl-methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium.
What is the SMILES notation for (3,4-dichlorophenyl)methyl-methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium?
The canonical SMILES for (3,4-dichlorophenyl)methyl-methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium is Cc1ccc(NC(=O)CN(C)C(=O)C[NH+](C)Cc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of (3,4-dichlorophenyl)methyl-methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium?
The InChIKey is IQGZLKQJAXDAQE-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H23Cl2N3O2/c1-14-4-7-16(8-5-14)23-19(26)12-25(3)20(27)13-24(2)11-15-6-9-17(21)18(22)10-15/h4-10H,11-13H2,1-3H3,(H,23,26)/p+1.
What are the key properties of (3,4-dichlorophenyl)methyl-methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium?
(3,4-dichlorophenyl)methyl-methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium has a molecular weight of 409.34 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)methyl-methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium is sourced from PubChem (CID 9251455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).