3-(3,5-dichloro-2-methoxyphenyl)-N-(2,4-dichlorophenyl)prop-2-enamide

C16H11Cl4NO2 — CID 4004961

IUPAC3-(3,5-dichloro-2-methoxyphenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
SMILESCOc1c(Cl)cc(Cl)cc1C=CC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H11Cl4NO2/c1-23-16-9(6-11(18)8-13(16)20)2-5-15(22)21-14-4-3-10(17)7-12(14)19/h2-8H,1H3,(H,21,22)
InChIKeyQCWBJDBGPQCEIW-UHFFFAOYSA-N
MW391.08 g/mol
LogP5.96
Rot. Bonds4

About 3-(3,5-dichloro-2-methoxyphenyl)-N-(2,4-dichlorophenyl)prop-2-enamide

3-(3,5-dichloro-2-methoxyphenyl)-N-(2,4-dichlorophenyl)prop-2-enamide (PubChem CID 4004961) has the molecular formula C16H11Cl4NO2 and a molecular weight of 391.08 g/mol. Its IUPAC name is 3-(3,5-dichloro-2-methoxyphenyl)-N-(2,4-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3,5-dichloro-2-methoxyphenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
PubChem CID4004961
Molecular FormulaC16H11Cl4NO2
Molecular Weight391.08 g/mol
Exact Mass388.95
IUPAC Name3-(3,5-dichloro-2-methoxyphenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
SMILESCOc1c(Cl)cc(Cl)cc1C=CC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H11Cl4NO2/c1-23-16-9(6-11(18)8-13(16)20)2-5-15(22)21-14-4-3-10(17)7-12(14)19/h2-8H,1H3,(H,21,22)
InChIKeyQCWBJDBGPQCEIW-UHFFFAOYSA-N
XLogP5.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.08
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
CID 1421848
(E)-N-(4-bromo-2-methylphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
CID 1397404
methyl 2-[3-(3,5-dichloro-2-methoxyphenyl)prop-2-enoylamino]benzoate
CID 4203326
N-(4-bromophenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
CID 1395964
3-(3,5-dichloro-2-methoxyphenyl)-N-(1,2-dihydroacenaphthylen-5-yl)prop-2-enamide
CID 3922854
(E)-3-(3,5-dichloro-2-methoxyphenyl)-N-(4-methoxy-2-nitrophenyl)prop-2-enamide
CID 6147507
N-(3-acetylphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
CID 1422060
3-(3,5-dichloro-2-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 1421909
3-chloro-N-[3-[[(E)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 2066848
3-(2-chlorophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 966049
3-(3,5-dichloro-2-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
CID 3543434
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(4-chloro-2-fluorophenyl)prop-2-enamide
CID 9097467

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloro-2-methoxyphenyl)-N-(2,4-dichlorophenyl)prop-2-enamide?
The IUPAC name of 3-(3,5-dichloro-2-methoxyphenyl)-N-(2,4-dichlorophenyl)prop-2-enamide (CID 4004961) is 3-(3,5-dichloro-2-methoxyphenyl)-N-(2,4-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for 3-(3,5-dichloro-2-methoxyphenyl)-N-(2,4-dichlorophenyl)prop-2-enamide?
The canonical SMILES for 3-(3,5-dichloro-2-methoxyphenyl)-N-(2,4-dichlorophenyl)prop-2-enamide is COc1c(Cl)cc(Cl)cc1C=CC(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(3,5-dichloro-2-methoxyphenyl)-N-(2,4-dichlorophenyl)prop-2-enamide?
The InChIKey is QCWBJDBGPQCEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl4NO2/c1-23-16-9(6-11(18)8-13(16)20)2-5-15(22)21-14-4-3-10(17)7-12(14)19/h2-8H,1H3,(H,21,22).
What are the key properties of 3-(3,5-dichloro-2-methoxyphenyl)-N-(2,4-dichlorophenyl)prop-2-enamide?
3-(3,5-dichloro-2-methoxyphenyl)-N-(2,4-dichlorophenyl)prop-2-enamide has a molecular weight of 391.08 g/mol, XLogP of 5.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloro-2-methoxyphenyl)-N-(2,4-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 4004961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).