3-(2,4-dichlorophenyl)-N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide

C24H16Cl4N2O2 — CID 3487324

IUPAC3-(2,4-dichlorophenyl)-N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1Cl)Nc1cccc(NC(=O)C=Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C24H16Cl4N2O2/c25-17-8-4-15(21(27)12-17)6-10-23(31)29-19-2-1-3-20(14-19)30-24(32)11-7-16-5-9-18(26)13-22(16)28/h1-14H,(H,29,31)(H,30,32)
InChIKeyZHXQPSVLIPYZBM-UHFFFAOYSA-N
MW506.22 g/mol
LogP7.60
Rot. Bonds6

About 3-(2,4-dichlorophenyl)-N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide

3-(2,4-dichlorophenyl)-N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide (PubChem CID 3487324) has the molecular formula C24H16Cl4N2O2 and a molecular weight of 506.22 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
PubChem CID3487324
Molecular FormulaC24H16Cl4N2O2
Molecular Weight506.22 g/mol
Exact Mass504.00
IUPAC Name3-(2,4-dichlorophenyl)-N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1Cl)Nc1cccc(NC(=O)C=Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C24H16Cl4N2O2/c25-17-8-4-15(21(27)12-17)6-10-23(31)29-19-2-1-3-20(14-19)30-24(32)11-7-16-5-9-18(26)13-22(16)28/h1-14H,(H,29,31)(H,30,32)
InChIKeyZHXQPSVLIPYZBM-UHFFFAOYSA-N
XLogP7.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.22
LogP ≤ 57.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2,4-dichlorophenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 872620
N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]butanamide
CID 4238227
3-(2,4-dichlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide
CID 868727
(E)-3-(2,4-dichlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 6115822
3-(2,4-dichlorophenyl)-N-(3-nitrophenyl)prop-2-enamide
CID 5185153
3-(2-chlorophenyl)-N-(3-chlorophenyl)prop-2-enamide
CID 692536
(E)-N-(4-bromo-3-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 21371931
N-cyclopropyl-3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]benzamide
CID 9247195
3-(2,4-dichlorophenyl)-N-pyridin-1-ium-4-ylprop-2-enamide
CID 4745023
N-[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 1348173
(E)-3-(2,4-dichlorophenyl)-N-[4-[[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]methyl]phenyl]prop-2-enamide
CID 6184980
4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]benzoic acid
CID 45426606

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide (CID 3487324) is 3-(2,4-dichlorophenyl)-N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide is O=C(C=Cc1ccc(Cl)cc1Cl)Nc1cccc(NC(=O)C=Cc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide?
The InChIKey is ZHXQPSVLIPYZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl4N2O2/c25-17-8-4-15(21(27)12-17)6-10-23(31)29-19-2-1-3-20(14-19)30-24(32)11-7-16-5-9-18(26)13-22(16)28/h1-14H,(H,29,31)(H,30,32).
What are the key properties of 3-(2,4-dichlorophenyl)-N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide?
3-(2,4-dichlorophenyl)-N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide has a molecular weight of 506.22 g/mol, XLogP of 7.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide is sourced from PubChem (CID 3487324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).