[(Z)-[amino-(3,5-dichloro-2-hydroxyphenyl)methylidene]amino] ethyl carbonate

C10H10Cl2N2O4 — CID 137307483

IUPAC[(Z)-[amino-(3,5-dichloro-2-hydroxyphenyl)methylidene]amino] ethyl carbonate
SMILESCCOC(=O)O/N=C(\N)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C10H10Cl2N2O4/c1-2-17-10(16)18-14-9(13)6-3-5(11)4-7(12)8(6)15/h3-4,15H,2H2,1H3,(H2,13,14)
InChIKeyYGONOYKYMHLMIR-UHFFFAOYSA-N
MW293.11 g/mol
LogP2.49
Rot. Bonds3

About [(Z)-[amino-(3,5-dichloro-2-hydroxyphenyl)methylidene]amino] ethyl carbonate

[(Z)-[amino-(3,5-dichloro-2-hydroxyphenyl)methylidene]amino] ethyl carbonate (PubChem CID 137307483) has the molecular formula C10H10Cl2N2O4 and a molecular weight of 293.11 g/mol. Its IUPAC name is [(Z)-[amino-(3,5-dichloro-2-hydroxyphenyl)methylidene]amino] ethyl carbonate.

Molecular Properties

Compound Name[(Z)-[amino-(3,5-dichloro-2-hydroxyphenyl)methylidene]amino] ethyl carbonate
PubChem CID137307483
Molecular FormulaC10H10Cl2N2O4
Molecular Weight293.11 g/mol
Exact Mass292.00
IUPAC Name[(Z)-[amino-(3,5-dichloro-2-hydroxyphenyl)methylidene]amino] ethyl carbonate
SMILESCCOC(=O)O/N=C(\N)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C10H10Cl2N2O4/c1-2-17-10(16)18-14-9(13)6-3-5(11)4-7(12)8(6)15/h3-4,15H,2H2,1H3,(H2,13,14)
InChIKeyYGONOYKYMHLMIR-UHFFFAOYSA-N
XLogP2.49
TPSA94.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.11
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 3,5-dichloro-2-methylbenzoate
CID 82883321
ethyl 2-amino-3,5-dichlorobenzoate
CID 15087809
1-(3,5-dichloro-2-hydroxyphenyl)octan-1-one
CID 21284637
ethyl 3,5-dichloro-2-iodobenzoate
CID 75361260
ethyl 2,4,6-trichlorobenzoate
CID 91733956
cis-ethyl (1R,2R)-2-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]cyclopropane-1-carboxylate
CID 178146428
tetrakis(3,5-dichloro-2-hydroxybenzoic acid);titanium
CID 170560520
2,4-dichloro-6-ethanehydrazonoylphenol
CID 135541682
[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3,4-diethoxybenzoate
CID 19292090
ethyl 2-oxo-2-(2,4,6-trichlorophenyl)acetate
CID 105349729
ethyl 5-(3,5-dichloro-2-hydroxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate
CID 2095794
diethyl 4,5-dichlorobenzene-1,2-dicarboxylate
CID 10517655

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino-(3,5-dichloro-2-hydroxyphenyl)methylidene]amino] ethyl carbonate?
The IUPAC name of [(Z)-[amino-(3,5-dichloro-2-hydroxyphenyl)methylidene]amino] ethyl carbonate (CID 137307483) is [(Z)-[amino-(3,5-dichloro-2-hydroxyphenyl)methylidene]amino] ethyl carbonate.
What is the SMILES notation for [(Z)-[amino-(3,5-dichloro-2-hydroxyphenyl)methylidene]amino] ethyl carbonate?
The canonical SMILES for [(Z)-[amino-(3,5-dichloro-2-hydroxyphenyl)methylidene]amino] ethyl carbonate is CCOC(=O)O/N=C(\N)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of [(Z)-[amino-(3,5-dichloro-2-hydroxyphenyl)methylidene]amino] ethyl carbonate?
The InChIKey is YGONOYKYMHLMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O4/c1-2-17-10(16)18-14-9(13)6-3-5(11)4-7(12)8(6)15/h3-4,15H,2H2,1H3,(H2,13,14).
What are the key properties of [(Z)-[amino-(3,5-dichloro-2-hydroxyphenyl)methylidene]amino] ethyl carbonate?
[(Z)-[amino-(3,5-dichloro-2-hydroxyphenyl)methylidene]amino] ethyl carbonate has a molecular weight of 293.11 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino-(3,5-dichloro-2-hydroxyphenyl)methylidene]amino] ethyl carbonate is sourced from PubChem (CID 137307483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).