2-acetamidoethyl-[2-(2-chloroanilino)-2-oxoethyl]-methylazanium

C13H19ClN3O2+ — CID 8843577

IUPAC2-acetamidoethyl-[2-(2-chloroanilino)-2-oxoethyl]-methylazanium
SMILESCC(=O)NCC[NH+](C)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C13H18ClN3O2/c1-10(18)15-7-8-17(2)9-13(19)16-12-6-4-3-5-11(12)14/h3-6H,7-9H2,1-2H3,(H,15,18)(H,16,19)/p+1
InChIKeyVDCJPEAVCFXXCZ-UHFFFAOYSA-O
MW284.77 g/mol
LogP-0.07
Rot. Bonds6

About 2-acetamidoethyl-[2-(2-chloroanilino)-2-oxoethyl]-methylazanium

2-acetamidoethyl-[2-(2-chloroanilino)-2-oxoethyl]-methylazanium (PubChem CID 8843577) has the molecular formula C13H19ClN3O2+ and a molecular weight of 284.77 g/mol. Its IUPAC name is 2-acetamidoethyl-[2-(2-chloroanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name2-acetamidoethyl-[2-(2-chloroanilino)-2-oxoethyl]-methylazanium
PubChem CID8843577
Molecular FormulaC13H19ClN3O2+
Molecular Weight284.77 g/mol
Exact Mass284.12
IUPAC Name2-acetamidoethyl-[2-(2-chloroanilino)-2-oxoethyl]-methylazanium
SMILESCC(=O)NCC[NH+](C)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C13H18ClN3O2/c1-10(18)15-7-8-17(2)9-13(19)16-12-6-4-3-5-11(12)14/h3-6H,7-9H2,1-2H3,(H,15,18)(H,16,19)/p+1
InChIKeyVDCJPEAVCFXXCZ-UHFFFAOYSA-O
XLogP-0.07
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.77
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium
CID 8843903
[2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium
CID 9036523
N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]acetamide
CID 47103341
[2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]azanium
CID 9036328
[2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 2698061
2-acetamidoethyl-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylazanium
CID 8790467
[2-(2-chloroanilino)-2-oxoethyl]-[(2S)-2-cyanopropyl]-methylazanium
CID 8843050
[2-(2-chloroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium
CID 2714090
2-(3-bromophenoxy)ethyl-[2-(2-chloroanilino)-2-oxoethyl]-methylazanium
CID 9036257
[2-(2-chloroanilino)-2-oxoethyl]-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylazanium
CID 9254777
[2-(2-chloroanilino)-2-oxoethyl]-[2-(2-chloro-4-nitroanilino)-2-oxoethyl]-methylazanium
CID 9037855
2-(2-acetamidoethylamino)-4-(2-chloroanilino)-4-oxobutanoic acid
CID 4752855

Frequently Asked Questions

What is the IUPAC name of 2-acetamidoethyl-[2-(2-chloroanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of 2-acetamidoethyl-[2-(2-chloroanilino)-2-oxoethyl]-methylazanium (CID 8843577) is 2-acetamidoethyl-[2-(2-chloroanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for 2-acetamidoethyl-[2-(2-chloroanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for 2-acetamidoethyl-[2-(2-chloroanilino)-2-oxoethyl]-methylazanium is CC(=O)NCC[NH+](C)CC(=O)Nc1ccccc1Cl.
What is the InChIKey of 2-acetamidoethyl-[2-(2-chloroanilino)-2-oxoethyl]-methylazanium?
The InChIKey is VDCJPEAVCFXXCZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H18ClN3O2/c1-10(18)15-7-8-17(2)9-13(19)16-12-6-4-3-5-11(12)14/h3-6H,7-9H2,1-2H3,(H,15,18)(H,16,19)/p+1.
What are the key properties of 2-acetamidoethyl-[2-(2-chloroanilino)-2-oxoethyl]-methylazanium?
2-acetamidoethyl-[2-(2-chloroanilino)-2-oxoethyl]-methylazanium has a molecular weight of 284.77 g/mol, XLogP of -0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamidoethyl-[2-(2-chloroanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8843577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).