N'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)ethyl]propanediamide

C19H20ClN3O3 — CID 108952578

IUPACN'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)ethyl]propanediamide
SMILESCC(=O)Nc1cccc(NC(=O)CC(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C19H20ClN3O3/c1-13(24)22-16-6-3-7-17(11-16)23-19(26)12-18(25)21-9-8-14-4-2-5-15(20)10-14/h2-7,10-11H,8-9,12H2,1H3,(H,21,25)(H,22,24)(H,23,26)
InChIKeyFSDWCAIYMMNNKW-UHFFFAOYSA-N
MW373.84 g/mol
LogP2.99
Rot. Bonds7

About N'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)ethyl]propanediamide

N'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)ethyl]propanediamide (PubChem CID 108952578) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is N'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)ethyl]propanediamide.

Molecular Properties

Compound NameN'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)ethyl]propanediamide
PubChem CID108952578
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC NameN'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)ethyl]propanediamide
SMILESCC(=O)Nc1cccc(NC(=O)CC(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C19H20ClN3O3/c1-13(24)22-16-6-3-7-17(11-16)23-19(26)12-18(25)21-9-8-14-4-2-5-15(20)10-14/h2-7,10-11H,8-9,12H2,1H3,(H,21,25)(H,22,24)(H,23,26)
InChIKeyFSDWCAIYMMNNKW-UHFFFAOYSA-N
XLogP2.99
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)ethyl]propanediamide 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-(3-acetamidoanilino)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 109006850
N'-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide
CID 108948432
N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)ethylamino]acetamide
CID 109006756
N-(3-acetamidophenyl)-N'-(3,5-dichlorophenyl)propanediamide
CID 108956248
ethyl 4-[[3-[2-(3-chlorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate
CID 108952593
N-[2-(3-chlorophenyl)ethyl]-N'-(2-ethylphenyl)propanediamide
CID 108952537
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
3-(3-acetylanilino)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 109033251
N-(3-chlorophenyl)-N'-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108966965
N-[2-(3-chlorophenyl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide
CID 108945758
N'-[2-(3-chlorophenyl)ethyl]-N-(3-methoxypropyl)propanediamide
CID 108943310
N'-(3,4-dichlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948741

Frequently Asked Questions

What is the IUPAC name of N'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)ethyl]propanediamide?
The IUPAC name of N'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)ethyl]propanediamide (CID 108952578) is N'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)ethyl]propanediamide.
What is the SMILES notation for N'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)ethyl]propanediamide?
The canonical SMILES for N'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)ethyl]propanediamide is CC(=O)Nc1cccc(NC(=O)CC(=O)NCCc2cccc(Cl)c2)c1.
What is the InChIKey of N'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)ethyl]propanediamide?
The InChIKey is FSDWCAIYMMNNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-13(24)22-16-6-3-7-17(11-16)23-19(26)12-18(25)21-9-8-14-4-2-5-15(20)10-14/h2-7,10-11H,8-9,12H2,1H3,(H,21,25)(H,22,24)(H,23,26).
What are the key properties of N'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)ethyl]propanediamide?
N'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)ethyl]propanediamide has a molecular weight of 373.84 g/mol, XLogP of 2.99, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)ethyl]propanediamide is sourced from PubChem (CID 108952578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).