(2-anilino-2-oxoethyl)-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium

C17H18Cl2N3O2+ — CID 9287215

IUPAC(2-anilino-2-oxoethyl)-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)Nc1ccccc1)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C17H17Cl2N3O2/c1-22(10-15(23)20-12-6-3-2-4-7-12)11-16(24)21-17-13(18)8-5-9-14(17)19/h2-9H,10-11H2,1H3,(H,20,23)(H,21,24)/p+1
InChIKeyRYYPMDXVAKKBMN-UHFFFAOYSA-O
MW367.26 g/mol
LogP2.09
Rot. Bonds6

About (2-anilino-2-oxoethyl)-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium

(2-anilino-2-oxoethyl)-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium (PubChem CID 9287215) has the molecular formula C17H18Cl2N3O2+ and a molecular weight of 367.26 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl)-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl)-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium
PubChem CID9287215
Molecular FormulaC17H18Cl2N3O2+
Molecular Weight367.26 g/mol
Exact Mass366.08
IUPAC Name(2-anilino-2-oxoethyl)-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)Nc1ccccc1)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C17H17Cl2N3O2/c1-22(10-15(23)20-12-6-3-2-4-7-12)11-16(24)21-17-13(18)8-5-9-14(17)19/h2-9H,10-11H2,1H3,(H,20,23)(H,21,24)/p+1
InChIKeyRYYPMDXVAKKBMN-UHFFFAOYSA-O
XLogP2.09
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.26
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,6-dichloroanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
CID 2699964
[2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[(4-phenylphenyl)methyl]azanium
CID 9287075
[2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium
CID 9287248
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-N-phenylacetamide
CID 34925634
[2-(2-chloro-4-methylanilino)-2-oxoethyl]-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium
CID 9287213
methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium
CID 8729190
[2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 2698061
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium
CID 8559526
(2-anilino-2-oxoethyl)-benzyl-methylazanium
CID 8901163
[2-(2,6-dichloroanilino)-2-oxoethyl]-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9287296
[2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium
CID 9287322
benzyl-[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylazanium
CID 8541446

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl)-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of (2-anilino-2-oxoethyl)-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium (CID 9287215) is (2-anilino-2-oxoethyl)-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for (2-anilino-2-oxoethyl)-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for (2-anilino-2-oxoethyl)-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium is C[NH+](CC(=O)Nc1ccccc1)CC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of (2-anilino-2-oxoethyl)-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium?
The InChIKey is RYYPMDXVAKKBMN-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H17Cl2N3O2/c1-22(10-15(23)20-12-6-3-2-4-7-12)11-16(24)21-17-13(18)8-5-9-14(17)19/h2-9H,10-11H2,1H3,(H,20,23)(H,21,24)/p+1.
What are the key properties of (2-anilino-2-oxoethyl)-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium?
(2-anilino-2-oxoethyl)-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium has a molecular weight of 367.26 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl)-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9287215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).