[2-(2-bromoanilino)-2-oxoethyl]-[2-(3-chloroanilino)-2-oxoethyl]-methylazanium

C17H18BrClN3O2+ — CID 9252675

IUPAC[2-(2-bromoanilino)-2-oxoethyl]-[2-(3-chloroanilino)-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)Nc1cccc(Cl)c1)CC(=O)Nc1ccccc1Br
InChIInChI=1S/C17H17BrClN3O2/c1-22(10-16(23)20-13-6-4-5-12(19)9-13)11-17(24)21-15-8-3-2-7-14(15)18/h2-9H,10-11H2,1H3,(H,20,23)(H,21,24)/p+1
InChIKeyMXRLGUDMOOUTOT-UHFFFAOYSA-O
MW411.71 g/mol
LogP2.19
Rot. Bonds6

About [2-(2-bromoanilino)-2-oxoethyl]-[2-(3-chloroanilino)-2-oxoethyl]-methylazanium

[2-(2-bromoanilino)-2-oxoethyl]-[2-(3-chloroanilino)-2-oxoethyl]-methylazanium (PubChem CID 9252675) has the molecular formula C17H18BrClN3O2+ and a molecular weight of 411.71 g/mol. Its IUPAC name is [2-(2-bromoanilino)-2-oxoethyl]-[2-(3-chloroanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(2-bromoanilino)-2-oxoethyl]-[2-(3-chloroanilino)-2-oxoethyl]-methylazanium
PubChem CID9252675
Molecular FormulaC17H18BrClN3O2+
Molecular Weight411.71 g/mol
Exact Mass410.03
IUPAC Name[2-(2-bromoanilino)-2-oxoethyl]-[2-(3-chloroanilino)-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)Nc1cccc(Cl)c1)CC(=O)Nc1ccccc1Br
InChIInChI=1S/C17H17BrClN3O2/c1-22(10-16(23)20-13-6-4-5-12(19)9-13)11-17(24)21-15-8-3-2-7-14(15)18/h2-9H,10-11H2,1H3,(H,20,23)(H,21,24)/p+1
InChIKeyMXRLGUDMOOUTOT-UHFFFAOYSA-O
XLogP2.19
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.71
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [2-(2-bromoanilino)-2-oxoethyl]-[2-(3-chloroanilino)-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

[2-(2-bromoanilino)-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9252639
[2-(3-chloroanilino)-2-oxoethyl]-[(3-chlorophenyl)methyl]-methylazanium
CID 9251257
[2-(2-bromoanilino)-2-oxoethyl]-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium
CID 9252609
[2-(2-bromoanilino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
CID 8712106
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9250684
[2-(2-bromo-4-methylanilino)-2-oxoethyl]-[2-(4-chloroanilino)-2-oxoethyl]-methylazanium
CID 2699212
[2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
CID 8843970
N-(3-acetylphenyl)-N'-(2-bromophenyl)propanediamide
CID 108956143
[2-(3-chloroanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8965577
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9166865
N'-(3-chloro-2-methylphenyl)-N-(3-chlorophenyl)propanediamide
CID 108954940
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)acetamide
CID 9252643

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromoanilino)-2-oxoethyl]-[2-(3-chloroanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(2-bromoanilino)-2-oxoethyl]-[2-(3-chloroanilino)-2-oxoethyl]-methylazanium (CID 9252675) is [2-(2-bromoanilino)-2-oxoethyl]-[2-(3-chloroanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(2-bromoanilino)-2-oxoethyl]-[2-(3-chloroanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(2-bromoanilino)-2-oxoethyl]-[2-(3-chloroanilino)-2-oxoethyl]-methylazanium is C[NH+](CC(=O)Nc1cccc(Cl)c1)CC(=O)Nc1ccccc1Br.
What is the InChIKey of [2-(2-bromoanilino)-2-oxoethyl]-[2-(3-chloroanilino)-2-oxoethyl]-methylazanium?
The InChIKey is MXRLGUDMOOUTOT-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H17BrClN3O2/c1-22(10-16(23)20-13-6-4-5-12(19)9-13)11-17(24)21-15-8-3-2-7-14(15)18/h2-9H,10-11H2,1H3,(H,20,23)(H,21,24)/p+1.
What are the key properties of [2-(2-bromoanilino)-2-oxoethyl]-[2-(3-chloroanilino)-2-oxoethyl]-methylazanium?
[2-(2-bromoanilino)-2-oxoethyl]-[2-(3-chloroanilino)-2-oxoethyl]-methylazanium has a molecular weight of 411.71 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromoanilino)-2-oxoethyl]-[2-(3-chloroanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9252675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).