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

C23H18Cl2N2O2 — CID 5139454

IUPAC3-(2,4-dichlorophenyl)-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1Cl)Nc1ccc(NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C23H18Cl2N2O2/c24-18-8-6-17(21(25)15-18)7-13-22(28)26-19-9-11-20(12-10-19)27-23(29)14-16-4-2-1-3-5-16/h1-13,15H,14H2,(H,26,28)(H,27,29)
InChIKeyYEIIVBCDNWWFOL-UHFFFAOYSA-N
MW425.32 g/mol
LogP5.83
Rot. Bonds6

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

3-(2,4-dichlorophenyl)-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide (PubChem CID 5139454) has the molecular formula C23H18Cl2N2O2 and a molecular weight of 425.32 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide
PubChem CID5139454
Molecular FormulaC23H18Cl2N2O2
Molecular Weight425.32 g/mol
Exact Mass424.07
IUPAC Name3-(2,4-dichlorophenyl)-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1Cl)Nc1ccc(NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C23H18Cl2N2O2/c24-18-8-6-17(21(25)15-18)7-13-22(28)26-19-9-11-20(12-10-19)27-23(29)14-16-4-2-1-3-5-16/h1-13,15H,14H2,(H,26,28)(H,27,29)
InChIKeyYEIIVBCDNWWFOL-UHFFFAOYSA-N
XLogP5.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.32
LogP ≤ 55.83
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-[4-(propanoylamino)phenyl]prop-2-enamide
CID 6053257
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
3-(2,4-dichlorophenyl)-N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 3487324
(E)-3-(2,4-dichlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 6115822
(E)-3-phenyl-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide
CID 17102397
3-(2,4-dichlorophenyl)-N-pyridin-1-ium-4-ylprop-2-enamide
CID 4745023
N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]butanamide
CID 4238227
(E)-3-(2,4-dichlorophenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
CID 108751443
(E)-N-(4-bromo-3-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 21371931
(E)-3-(2,4-dichlorophenyl)-N-[[4-(propanoylamino)phenyl]carbamothioyl]prop-2-enamide
CID 1346256

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide (CID 5139454) is 3-(2,4-dichlorophenyl)-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide is O=C(C=Cc1ccc(Cl)cc1Cl)Nc1ccc(NC(=O)Cc2ccccc2)cc1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide?
The InChIKey is YEIIVBCDNWWFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2O2/c24-18-8-6-17(21(25)15-18)7-13-22(28)26-19-9-11-20(12-10-19)27-23(29)14-16-4-2-1-3-5-16/h1-13,15H,14H2,(H,26,28)(H,27,29).
What are the key properties of 3-(2,4-dichlorophenyl)-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide?
3-(2,4-dichlorophenyl)-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide has a molecular weight of 425.32 g/mol, XLogP of 5.83, 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-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide is sourced from PubChem (CID 5139454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).