N-[3-(2-amino-5-chlorophenyl)-3-oxopropyl]acetamide

C11H13ClN2O2 — CID 11615649

IUPACN-[3-(2-amino-5-chlorophenyl)-3-oxopropyl]acetamide
SMILESCC(=O)NCCC(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C11H13ClN2O2/c1-7(15)14-5-4-11(16)9-6-8(12)2-3-10(9)13/h2-3,6H,4-5,13H2,1H3,(H,14,15)
InChIKeyIPAYVHWGALPZME-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.63
Rot. Bonds4

About N-[3-(2-amino-5-chlorophenyl)-3-oxopropyl]acetamide

N-[3-(2-amino-5-chlorophenyl)-3-oxopropyl]acetamide (PubChem CID 11615649) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is N-[3-(2-amino-5-chlorophenyl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-amino-5-chlorophenyl)-3-oxopropyl]acetamide
PubChem CID11615649
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC NameN-[3-(2-amino-5-chlorophenyl)-3-oxopropyl]acetamide
SMILESCC(=O)NCCC(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C11H13ClN2O2/c1-7(15)14-5-4-11(16)9-6-8(12)2-3-10(9)13/h2-3,6H,4-5,13H2,1H3,(H,14,15)
InChIKeyIPAYVHWGALPZME-UHFFFAOYSA-N
XLogP1.63
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(2-amino-5-chlorophenyl)-3-oxopropyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-5-chlorophenyl)-3-oxopropyl]acetamide?
The IUPAC name of N-[3-(2-amino-5-chlorophenyl)-3-oxopropyl]acetamide (CID 11615649) is N-[3-(2-amino-5-chlorophenyl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-[3-(2-amino-5-chlorophenyl)-3-oxopropyl]acetamide?
The canonical SMILES for N-[3-(2-amino-5-chlorophenyl)-3-oxopropyl]acetamide is CC(=O)NCCC(=O)c1cc(Cl)ccc1N.
What is the InChIKey of N-[3-(2-amino-5-chlorophenyl)-3-oxopropyl]acetamide?
The InChIKey is IPAYVHWGALPZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-7(15)14-5-4-11(16)9-6-8(12)2-3-10(9)13/h2-3,6H,4-5,13H2,1H3,(H,14,15).
What are the key properties of N-[3-(2-amino-5-chlorophenyl)-3-oxopropyl]acetamide?
N-[3-(2-amino-5-chlorophenyl)-3-oxopropyl]acetamide has a molecular weight of 240.69 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-5-chlorophenyl)-3-oxopropyl]acetamide is sourced from PubChem (CID 11615649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).