3-[2-(2,4-dichlorophenyl)ethylamino]-N-(3,4-dimethoxyphenyl)propanamide

C19H22Cl2N2O3 — CID 109033475

IUPAC3-[2-(2,4-dichlorophenyl)ethylamino]-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCNCCc2ccc(Cl)cc2Cl)cc1OC
InChIInChI=1S/C19H22Cl2N2O3/c1-25-17-6-5-15(12-18(17)26-2)23-19(24)8-10-22-9-7-13-3-4-14(20)11-16(13)21/h3-6,11-12,22H,7-10H2,1-2H3,(H,23,24)
InChIKeyOCITVXIMXDTGPA-UHFFFAOYSA-N
MW397.30 g/mol
LogP4.17
Rot. Bonds9

About 3-[2-(2,4-dichlorophenyl)ethylamino]-N-(3,4-dimethoxyphenyl)propanamide

3-[2-(2,4-dichlorophenyl)ethylamino]-N-(3,4-dimethoxyphenyl)propanamide (PubChem CID 109033475) has the molecular formula C19H22Cl2N2O3 and a molecular weight of 397.30 g/mol. Its IUPAC name is 3-[2-(2,4-dichlorophenyl)ethylamino]-N-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[2-(2,4-dichlorophenyl)ethylamino]-N-(3,4-dimethoxyphenyl)propanamide
PubChem CID109033475
Molecular FormulaC19H22Cl2N2O3
Molecular Weight397.30 g/mol
Exact Mass396.10
IUPAC Name3-[2-(2,4-dichlorophenyl)ethylamino]-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCNCCc2ccc(Cl)cc2Cl)cc1OC
InChIInChI=1S/C19H22Cl2N2O3/c1-25-17-6-5-15(12-18(17)26-2)23-19(24)8-10-22-9-7-13-3-4-14(20)11-16(13)21/h3-6,11-12,22H,7-10H2,1-2H3,(H,23,24)
InChIKeyOCITVXIMXDTGPA-UHFFFAOYSA-N
XLogP4.17
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.30
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2,4-dichlorophenyl)ethylamino]-N-(4-ethylphenyl)propanamide
CID 109033457
N-(3-acetamidophenyl)-3-[2-(2,4-dichlorophenyl)ethylamino]propanamide
CID 109033478
4-(2,4-dichlorophenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 2282471
3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19220838
3-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109038452
N-(3,4-dimethoxyphenyl)-3-(3-methylbutylamino)propanamide
CID 109032052
2-(2,4-dichlorophenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]acetamide
CID 55539749
1-[2-(2,4-dichlorophenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108989707
3-(3,4-difluoroanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109040581
3-(2,6-dichlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 100599366
N-(3,4-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109025396
N-(5-chloro-2-methoxyphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide
CID 109028066

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dichlorophenyl)ethylamino]-N-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of 3-[2-(2,4-dichlorophenyl)ethylamino]-N-(3,4-dimethoxyphenyl)propanamide (CID 109033475) is 3-[2-(2,4-dichlorophenyl)ethylamino]-N-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-[2-(2,4-dichlorophenyl)ethylamino]-N-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-[2-(2,4-dichlorophenyl)ethylamino]-N-(3,4-dimethoxyphenyl)propanamide is COc1ccc(NC(=O)CCNCCc2ccc(Cl)cc2Cl)cc1OC.
What is the InChIKey of 3-[2-(2,4-dichlorophenyl)ethylamino]-N-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is OCITVXIMXDTGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O3/c1-25-17-6-5-15(12-18(17)26-2)23-19(24)8-10-22-9-7-13-3-4-14(20)11-16(13)21/h3-6,11-12,22H,7-10H2,1-2H3,(H,23,24).
What are the key properties of 3-[2-(2,4-dichlorophenyl)ethylamino]-N-(3,4-dimethoxyphenyl)propanamide?
3-[2-(2,4-dichlorophenyl)ethylamino]-N-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 397.30 g/mol, XLogP of 4.17, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dichlorophenyl)ethylamino]-N-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 109033475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).