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

C21H18Cl4N2O2 — CID 6113892

IUPAC(E)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)NCCCNC(=O)/C=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H18Cl4N2O2/c22-16-6-2-14(18(24)12-16)4-8-20(28)26-10-1-11-27-21(29)9-5-15-3-7-17(23)13-19(15)25/h2-9,12-13H,1,10-11H2,(H,26,28)(H,27,29)/b8-4+,9-5+
InChIKeyFUGJNQQSVFLFBE-KBXRYBNXSA-N
MW472.20 g/mol
LogP5.65
Rot. Bonds8

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

(E)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide (PubChem CID 6113892) has the molecular formula C21H18Cl4N2O2 and a molecular weight of 472.20 g/mol. Its IUPAC name is (E)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
PubChem CID6113892
Molecular FormulaC21H18Cl4N2O2
Molecular Weight472.20 g/mol
Exact Mass470.01
IUPAC Name(E)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)NCCCNC(=O)/C=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H18Cl4N2O2/c22-16-6-2-14(18(24)12-16)4-8-20(28)26-10-1-11-27-21(29)9-5-15-3-7-17(23)13-19(15)25/h2-9,12-13H,1,10-11H2,(H,26,28)(H,27,29)/b8-4+,9-5+
InChIKeyFUGJNQQSVFLFBE-KBXRYBNXSA-N
XLogP5.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(4-aminobutyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 82335727
(E)-3-(2,4-dichlorophenyl)-N-(5-hydroxypentyl)prop-2-enamide
CID 107318451
2-[3-(2,4-dichlorophenyl)prop-2-enoylamino]acetic acid
CID 3322960
N-[2-(3-chlorophenyl)ethyl]-3-(2,4-dichlorophenyl)prop-2-enamide
CID 5056399
(E)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-2,2-dimethylpropyl]prop-2-enamide
CID 6166785
(E)-3-(2,4-dichlorophenyl)-N-(3-hydroxypentyl)prop-2-enamide
CID 115703845
(E)-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-3-(2,4-dichlorophenyl)prop-2-enamide
CID 51604937
2-[[2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]acetyl]amino]acetic acid
CID 43387467
(E)-N-(2-cyclopentylsulfanylethyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 100754959
(E)-3-(2,4-dichlorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]prop-2-enamide
CID 2541559
2-[2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]ethoxy]propanoic acid
CID 110495196
5-[3-(2,5-dichlorophenyl)prop-2-enoylamino]pentanoic acid
CID 76931623

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide (CID 6113892) is (E)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide is O=C(/C=C/c1ccc(Cl)cc1Cl)NCCCNC(=O)/C=C/c1ccc(Cl)cc1Cl.
What is the InChIKey of (E)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide?
The InChIKey is FUGJNQQSVFLFBE-KBXRYBNXSA-N. The full InChI is InChI=1S/C21H18Cl4N2O2/c22-16-6-2-14(18(24)12-16)4-8-20(28)26-10-1-11-27-21(29)9-5-15-3-7-17(23)13-19(15)25/h2-9,12-13H,1,10-11H2,(H,26,28)(H,27,29)/b8-4+,9-5+.
What are the key properties of (E)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide?
(E)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide has a molecular weight of 472.20 g/mol, XLogP of 5.65, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide is sourced from PubChem (CID 6113892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).