(E)-3-(3,4-dichlorophenyl)-N-[2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide

C21H18Cl4N2O2 — CID 6176554

IUPAC(E)-3-(3,4-dichlorophenyl)-N-[2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
SMILESCC(CNC(=O)/C=C/c1ccc(Cl)c(Cl)c1)NC(=O)/C=C/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H18Cl4N2O2/c1-13(27-21(29)9-5-15-3-7-17(23)19(25)11-15)12-26-20(28)8-4-14-2-6-16(22)18(24)10-14/h2-11,13H,12H2,1H3,(H,26,28)(H,27,29)/b8-4+,9-5+
InChIKeyWCBXYZPITLISBM-KBXRYBNXSA-N
MW472.20 g/mol
LogP5.65
Rot. Bonds7

About (E)-3-(3,4-dichlorophenyl)-N-[2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide

(E)-3-(3,4-dichlorophenyl)-N-[2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide (PubChem CID 6176554) has the molecular formula C21H18Cl4N2O2 and a molecular weight of 472.20 g/mol. Its IUPAC name is (E)-3-(3,4-dichlorophenyl)-N-[2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-dichlorophenyl)-N-[2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
PubChem CID6176554
Molecular FormulaC21H18Cl4N2O2
Molecular Weight472.20 g/mol
Exact Mass470.01
IUPAC Name(E)-3-(3,4-dichlorophenyl)-N-[2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
SMILESCC(CNC(=O)/C=C/c1ccc(Cl)c(Cl)c1)NC(=O)/C=C/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H18Cl4N2O2/c1-13(27-21(29)9-5-15-3-7-17(23)19(25)11-15)12-26-20(28)8-4-14-2-6-16(22)18(24)10-14/h2-11,13H,12H2,1H3,(H,26,28)(H,27,29)/b8-4+,9-5+
InChIKeyWCBXYZPITLISBM-KBXRYBNXSA-N
XLogP5.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.20
LogP ≤ 55.65
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)-N-[(2S)-butan-2-yl]-3-(3,4-dichlorophenyl)prop-2-enamide
CID 896104
(Z)-3-(2-chlorophenyl)-N-[(2R)-2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 129441523
(Z)-N-[(2S)-butan-2-yl]-3-(3-chloro-4-methylphenyl)prop-2-enamide
CID 97304937
(E)-N-[(1R)-1-cyclopropylethyl]-3-(3,4-dichlorophenyl)prop-2-enamide
CID 9478763
(E)-N-benzyl-3-(3,4-dichlorophenyl)prop-2-enamide
CID 898158
3-(3,4-dichlorophenyl)-N-[[3-[[3-(3,4-dichlorophenyl)prop-2-enoylamino]methyl]phenyl]methyl]prop-2-enamide
CID 3261410
3-(3,4-dichlorophenyl)-N-prop-2-enylprop-2-enamide
CID 2933752
(E)-3-(3,4-dichlorophenyl)-N-(5-hydroxy-4-methylpentyl)prop-2-enamide
CID 103861421
(E)-3-(3-chloro-4-methylphenyl)-N-(2-hydroxy-3-methylbutyl)prop-2-enamide
CID 115746114
methyl 2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]-3-hydroxypropanoate
CID 43407087
(E)-3-(3,4-dichlorophenyl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43417822
(E)-3-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)prop-2-enamide
CID 103771659

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dichlorophenyl)-N-[2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide?
The IUPAC name of (E)-3-(3,4-dichlorophenyl)-N-[2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide (CID 6176554) is (E)-3-(3,4-dichlorophenyl)-N-[2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-dichlorophenyl)-N-[2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3,4-dichlorophenyl)-N-[2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide is CC(CNC(=O)/C=C/c1ccc(Cl)c(Cl)c1)NC(=O)/C=C/c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (E)-3-(3,4-dichlorophenyl)-N-[2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide?
The InChIKey is WCBXYZPITLISBM-KBXRYBNXSA-N. The full InChI is InChI=1S/C21H18Cl4N2O2/c1-13(27-21(29)9-5-15-3-7-17(23)19(25)11-15)12-26-20(28)8-4-14-2-6-16(22)18(24)10-14/h2-11,13H,12H2,1H3,(H,26,28)(H,27,29)/b8-4+,9-5+.
What are the key properties of (E)-3-(3,4-dichlorophenyl)-N-[2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide?
(E)-3-(3,4-dichlorophenyl)-N-[2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide has a molecular weight of 472.20 g/mol, XLogP of 5.65, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dichlorophenyl)-N-[2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide is sourced from PubChem (CID 6176554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).