[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium

C12H16Cl2N3O2+ — CID 8771647

IUPAC[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
SMILESCNC(=O)C[NH2+]CC(=O)Nc1c(Cl)ccc(C)c1Cl
InChIInChI=1S/C12H15Cl2N3O2/c1-7-3-4-8(13)12(11(7)14)17-10(19)6-16-5-9(18)15-2/h3-4,16H,5-6H2,1-2H3,(H,15,18)(H,17,19)/p+1
InChIKeyMVRAKFJAKBTSRE-UHFFFAOYSA-O
MW305.19 g/mol
LogP0.55
Rot. Bonds5

About [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium

[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium (PubChem CID 8771647) has the molecular formula C12H16Cl2N3O2+ and a molecular weight of 305.19 g/mol. Its IUPAC name is [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
PubChem CID8771647
Molecular FormulaC12H16Cl2N3O2+
Molecular Weight305.19 g/mol
Exact Mass304.06
IUPAC Name[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
SMILESCNC(=O)C[NH2+]CC(=O)Nc1c(Cl)ccc(C)c1Cl
InChIInChI=1S/C12H15Cl2N3O2/c1-7-3-4-8(13)12(11(7)14)17-10(19)6-16-5-9(18)15-2/h3-4,16H,5-6H2,1-2H3,(H,15,18)(H,17,19)/p+1
InChIKeyMVRAKFJAKBTSRE-UHFFFAOYSA-O
XLogP0.55
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.19
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,6-dichloro-3-methylanilino)-3-oxopropanoic acid
CID 62231070
2-(tert-butylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 27149947
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9376539
[(1S)-1-(2-chlorophenyl)ethyl]-[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]azanium
CID 9306887
[2-(2,3-dichloroanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8771773
6-(2,6-dichloro-3-methylanilino)-6-oxohexanoic acid
CID 43529433
N-(2,6-dichloro-3-methylphenyl)-2-ethoxyacetamide
CID 64591166
5-bromo-N-(2,6-dichloro-3-methylphenyl)pentanamide
CID 107907179
(3Z)-3-amino-N-(2,6-dichloro-3-methylphenyl)-3-hydroxyiminopropanamide
CID 43156022
2-(butan-2-ylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 60646972
2-azido-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 61373651
2-[[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263564

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium?
The IUPAC name of [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium (CID 8771647) is [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium.
What is the SMILES notation for [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium?
The canonical SMILES for [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium is CNC(=O)C[NH2+]CC(=O)Nc1c(Cl)ccc(C)c1Cl.
What is the InChIKey of [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium?
The InChIKey is MVRAKFJAKBTSRE-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H15Cl2N3O2/c1-7-3-4-8(13)12(11(7)14)17-10(19)6-16-5-9(18)15-2/h3-4,16H,5-6H2,1-2H3,(H,15,18)(H,17,19)/p+1.
What are the key properties of [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium?
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium has a molecular weight of 305.19 g/mol, XLogP of 0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium is sourced from PubChem (CID 8771647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).