2-[(5-amino-2-chlorophenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide

C₁₁H₁₅ClN₄O₂ — CID 55157213

About 2-[(5-amino-2-chlorophenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide

2-[(5-amino-2-chlorophenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide (PubChem CID 55157213) has the molecular formula C₁₁H₁₅ClN₄O₂ and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-[(5-amino-2-chlorophenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide.

Molecular Properties

• Compound Name: 2-[(5-amino-2-chlorophenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide
• PubChem CID: 55157213
• Molecular Formula: C₁₁H₁₅ClN₄O₂
• Molecular Weight: 270.72 g/mol
• Exact Mass: 270.09
• IUPAC Name: 2-[(5-amino-2-chlorophenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide
• SMILES: NC(=O)CN(CC(N)=O)Cc1cc(N)ccc1Cl
• InChI: InChI=1S/C11H15ClN4O2/c12-9-2-1-8(13)3-7(9)4-16(5-10(14)17)6-11(15)18/h1-3H,4-6,13H2,(H2,14,17)(H2,15,18)
• InChIKey: SUBOZSKSUOIHLV-UHFFFAOYSA-N
• XLogP: -0.31
• TPSA: 115.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	270.72
LogP ≤ 5	-0.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-chlorophenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide?

The IUPAC name of 2-[(5-amino-2-chlorophenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide (CID 55157213) is 2-[(5-amino-2-chlorophenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide.

What is the SMILES notation for 2-[(5-amino-2-chlorophenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide?

The canonical SMILES for 2-[(5-amino-2-chlorophenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide is NC(=O)CN(CC(N)=O)Cc1cc(N)ccc1Cl.

What is the InChIKey of 2-[(5-amino-2-chlorophenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide?

The InChIKey is SUBOZSKSUOIHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c12-9-2-1-8(13)3-7(9)4-16(5-10(14)17)6-11(15)18/h1-3H,4-6,13H2,(H2,14,17)(H2,15,18).

What are the key properties of 2-[(5-amino-2-chlorophenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide?

2-[(5-amino-2-chlorophenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide has a molecular weight of 270.72 g/mol, XLogP of -0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-amino-2-chlorophenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide is sourced from PubChem (CID 55157213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 55157213 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.