3,3-dichloro-2-(4-chlorophenyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]prop-2-enamide

C20H20Cl3NO3 — CID 59105437

IUPAC3,3-dichloro-2-(4-chlorophenyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]prop-2-enamide
SMILESCCOc1ccc(CCNC(=O)C(=C(Cl)Cl)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C20H20Cl3NO3/c1-3-27-16-9-4-13(12-17(16)26-2)10-11-24-20(25)18(19(22)23)14-5-7-15(21)8-6-14/h4-9,12H,3,10-11H2,1-2H3,(H,24,25)
InChIKeyQOPFDHVDHMGGTI-UHFFFAOYSA-N
MW428.74 g/mol
LogP5.25
Rot. Bonds8

About 3,3-dichloro-2-(4-chlorophenyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]prop-2-enamide

3,3-dichloro-2-(4-chlorophenyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]prop-2-enamide (PubChem CID 59105437) has the molecular formula C20H20Cl3NO3 and a molecular weight of 428.74 g/mol. Its IUPAC name is 3,3-dichloro-2-(4-chlorophenyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name3,3-dichloro-2-(4-chlorophenyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]prop-2-enamide
PubChem CID59105437
Molecular FormulaC20H20Cl3NO3
Molecular Weight428.74 g/mol
Exact Mass427.05
IUPAC Name3,3-dichloro-2-(4-chlorophenyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]prop-2-enamide
SMILESCCOc1ccc(CCNC(=O)C(=C(Cl)Cl)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C20H20Cl3NO3/c1-3-27-16-9-4-13(12-17(16)26-2)10-11-24-20(25)18(19(22)23)14-5-7-15(21)8-6-14/h4-9,12H,3,10-11H2,1-2H3,(H,24,25)
InChIKeyQOPFDHVDHMGGTI-UHFFFAOYSA-N
XLogP5.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.74
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3,3-dichloro-2-(4-chlorophenyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]prop-2-enamide 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

3,3-dichloro-2-(4-chlorophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]prop-2-enamide
CID 20627121
2-(4-chlorophenyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-2-methoxyiminoacetamide
CID 73193276
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108891954
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891453
(E)-2-(3,4-dichlorophenyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]pent-2-enamide
CID 58819042
1-(5-chloro-2-methylphenyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891555
1-(3-chloropropyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891565
2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-iodoiminoacetamide
CID 154039597
3-(4-chlorophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 16574764
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
methyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethylcarbamoylamino]propanoate
CID 108891767
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101

Frequently Asked Questions

What is the IUPAC name of 3,3-dichloro-2-(4-chlorophenyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]prop-2-enamide?
The IUPAC name of 3,3-dichloro-2-(4-chlorophenyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]prop-2-enamide (CID 59105437) is 3,3-dichloro-2-(4-chlorophenyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]prop-2-enamide.
What is the SMILES notation for 3,3-dichloro-2-(4-chlorophenyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]prop-2-enamide?
The canonical SMILES for 3,3-dichloro-2-(4-chlorophenyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]prop-2-enamide is CCOc1ccc(CCNC(=O)C(=C(Cl)Cl)c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 3,3-dichloro-2-(4-chlorophenyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]prop-2-enamide?
The InChIKey is QOPFDHVDHMGGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl3NO3/c1-3-27-16-9-4-13(12-17(16)26-2)10-11-24-20(25)18(19(22)23)14-5-7-15(21)8-6-14/h4-9,12H,3,10-11H2,1-2H3,(H,24,25).
What are the key properties of 3,3-dichloro-2-(4-chlorophenyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]prop-2-enamide?
3,3-dichloro-2-(4-chlorophenyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]prop-2-enamide has a molecular weight of 428.74 g/mol, XLogP of 5.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dichloro-2-(4-chlorophenyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 59105437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).