(2,4-dichlorophenyl) N-[(E)-2-[(2,4-dichlorophenoxy)carbonylamino]ethenyl]carbamate

C16H10Cl4N2O4 — CID 3033545

IUPAC(2,4-dichlorophenyl) N-[(E)-2-[(2,4-dichlorophenoxy)carbonylamino]ethenyl]carbamate
SMILESO=C(N/C=C/NC(=O)Oc1ccc(Cl)cc1Cl)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H10Cl4N2O4/c17-9-1-3-13(11(19)7-9)25-15(23)21-5-6-22-16(24)26-14-4-2-10(18)8-12(14)20/h1-8H,(H,21,23)(H,22,24)/b6-5+
InChIKeyCEZNHSFLQCAVSO-AATRIKPKSA-N
MW436.08 g/mol
LogP5.65
Rot. Bonds4

About (2,4-dichlorophenyl) N-[(E)-2-[(2,4-dichlorophenoxy)carbonylamino]ethenyl]carbamate

(2,4-dichlorophenyl) N-[(E)-2-[(2,4-dichlorophenoxy)carbonylamino]ethenyl]carbamate (PubChem CID 3033545) has the molecular formula C16H10Cl4N2O4 and a molecular weight of 436.08 g/mol. Its IUPAC name is (2,4-dichlorophenyl) N-[(E)-2-[(2,4-dichlorophenoxy)carbonylamino]ethenyl]carbamate.

Molecular Properties

Compound Name(2,4-dichlorophenyl) N-[(E)-2-[(2,4-dichlorophenoxy)carbonylamino]ethenyl]carbamate
PubChem CID3033545
Molecular FormulaC16H10Cl4N2O4
Molecular Weight436.08 g/mol
Exact Mass433.94
IUPAC Name(2,4-dichlorophenyl) N-[(E)-2-[(2,4-dichlorophenoxy)carbonylamino]ethenyl]carbamate
SMILESO=C(N/C=C/NC(=O)Oc1ccc(Cl)cc1Cl)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H10Cl4N2O4/c17-9-1-3-13(11(19)7-9)25-15(23)21-5-6-22-16(24)26-14-4-2-10(18)8-12(14)20/h1-8H,(H,21,23)(H,22,24)/b6-5+
InChIKeyCEZNHSFLQCAVSO-AATRIKPKSA-N
XLogP5.65
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.08
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl) N-[(E)-2-[(2,4-dichlorophenoxy)carbonylamino]ethenyl]carbamate?
The IUPAC name of (2,4-dichlorophenyl) N-[(E)-2-[(2,4-dichlorophenoxy)carbonylamino]ethenyl]carbamate (CID 3033545) is (2,4-dichlorophenyl) N-[(E)-2-[(2,4-dichlorophenoxy)carbonylamino]ethenyl]carbamate.
What is the SMILES notation for (2,4-dichlorophenyl) N-[(E)-2-[(2,4-dichlorophenoxy)carbonylamino]ethenyl]carbamate?
The canonical SMILES for (2,4-dichlorophenyl) N-[(E)-2-[(2,4-dichlorophenoxy)carbonylamino]ethenyl]carbamate is O=C(N/C=C/NC(=O)Oc1ccc(Cl)cc1Cl)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl) N-[(E)-2-[(2,4-dichlorophenoxy)carbonylamino]ethenyl]carbamate?
The InChIKey is CEZNHSFLQCAVSO-AATRIKPKSA-N. The full InChI is InChI=1S/C16H10Cl4N2O4/c17-9-1-3-13(11(19)7-9)25-15(23)21-5-6-22-16(24)26-14-4-2-10(18)8-12(14)20/h1-8H,(H,21,23)(H,22,24)/b6-5+.
What are the key properties of (2,4-dichlorophenyl) N-[(E)-2-[(2,4-dichlorophenoxy)carbonylamino]ethenyl]carbamate?
(2,4-dichlorophenyl) N-[(E)-2-[(2,4-dichlorophenoxy)carbonylamino]ethenyl]carbamate has a molecular weight of 436.08 g/mol, XLogP of 5.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl) N-[(E)-2-[(2,4-dichlorophenoxy)carbonylamino]ethenyl]carbamate is sourced from PubChem (CID 3033545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).