3-(2,4-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide

C20H23Cl2NO2 — CID 100606977

IUPAC3-(2,4-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide
SMILESCCOc1ccccc1CCCNC(=O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H23Cl2NO2/c1-2-25-19-8-4-3-6-16(19)7-5-13-23-20(24)12-10-15-9-11-17(21)14-18(15)22/h3-4,6,8-9,11,14H,2,5,7,10,12-13H2,1H3,(H,23,24)
InChIKeyJBLNPFJQTJSKFQ-UHFFFAOYSA-N
MW380.32 g/mol
LogP5.07
Rot. Bonds9

About 3-(2,4-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide

3-(2,4-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide (PubChem CID 100606977) has the molecular formula C20H23Cl2NO2 and a molecular weight of 380.32 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide
PubChem CID100606977
Molecular FormulaC20H23Cl2NO2
Molecular Weight380.32 g/mol
Exact Mass379.11
IUPAC Name3-(2,4-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide
SMILESCCOc1ccccc1CCCNC(=O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H23Cl2NO2/c1-2-25-19-8-4-3-6-16(19)7-5-13-23-20(24)12-10-15-9-11-17(21)14-18(15)22/h3-4,6,8-9,11,14H,2,5,7,10,12-13H2,1H3,(H,23,24)
InChIKeyJBLNPFJQTJSKFQ-UHFFFAOYSA-N
XLogP5.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.32
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2,4-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide 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

N-[3-(2-chlorophenyl)propyl]-3-(2,4-dichlorophenyl)propanamide
CID 100608161
3-(2,6-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide
CID 100601540
3-(2-aminophenyl)-N-[3-(2,4-dichlorophenyl)propyl]propanamide
CID 120611624
3-(2-ethoxyphenyl)-N-pentylpropanamide
CID 78805290
N-[3-(2-chlorophenyl)propyl]-3-(3,4-diethoxyphenyl)propanamide
CID 43908360
3-(2-ethoxyphenyl)-N-(3-methoxypropyl)propanamide
CID 78805149
3-(2,4-dichlorophenyl)-N-(3-methoxypropyl)propanamide
CID 94001130
3-[3-(2-ethoxyphenyl)propanoylamino]propanoic acid
CID 43170647
N-[(2,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 2641033
N-[4-[(2,4-dichlorophenyl)methylamino]-4-oxobutyl]-2-ethoxybenzamide
CID 8559595
N-(3-aminopropyl)-3-(2,4-dichlorophenyl)propanamide;hydrochloride
CID 119408221
(2R)-2-(3-chlorophenoxy)-N-[3-(2-ethoxyphenyl)propyl]propanamide
CID 92684006

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide (CID 100606977) is 3-(2,4-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide is CCOc1ccccc1CCCNC(=O)CCc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide?
The InChIKey is JBLNPFJQTJSKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2NO2/c1-2-25-19-8-4-3-6-16(19)7-5-13-23-20(24)12-10-15-9-11-17(21)14-18(15)22/h3-4,6,8-9,11,14H,2,5,7,10,12-13H2,1H3,(H,23,24).
What are the key properties of 3-(2,4-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide?
3-(2,4-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide has a molecular weight of 380.32 g/mol, XLogP of 5.07, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide is sourced from PubChem (CID 100606977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).