N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclobutanecarboxamide

C12H12Cl2N2O2 — CID 923595

IUPACN-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclobutanecarboxamide
SMILESO=C(NN=Cc1cc(Cl)cc(Cl)c1O)C1CCC1
InChIInChI=1S/C12H12Cl2N2O2/c13-9-4-8(11(17)10(14)5-9)6-15-16-12(18)7-2-1-3-7/h4-7,17H,1-3H2,(H,16,18)
InChIKeyIZNAAJKIIFRHLE-UHFFFAOYSA-N
MW287.15 g/mol
LogP2.95
Rot. Bonds3

About N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclobutanecarboxamide

N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclobutanecarboxamide (PubChem CID 923595) has the molecular formula C12H12Cl2N2O2 and a molecular weight of 287.15 g/mol. Its IUPAC name is N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclobutanecarboxamide
PubChem CID923595
Molecular FormulaC12H12Cl2N2O2
Molecular Weight287.15 g/mol
Exact Mass286.03
IUPAC NameN-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclobutanecarboxamide
SMILESO=C(NN=Cc1cc(Cl)cc(Cl)c1O)C1CCC1
InChIInChI=1S/C12H12Cl2N2O2/c13-9-4-8(11(17)10(14)5-9)6-15-16-12(18)7-2-1-3-7/h4-7,17H,1-3H2,(H,16,18)
InChIKeyIZNAAJKIIFRHLE-UHFFFAOYSA-N
XLogP2.95
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclobutanecarboxamide?
The IUPAC name of N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclobutanecarboxamide (CID 923595) is N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclobutanecarboxamide.
What is the SMILES notation for N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclobutanecarboxamide?
The canonical SMILES for N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclobutanecarboxamide is O=C(NN=Cc1cc(Cl)cc(Cl)c1O)C1CCC1.
What is the InChIKey of N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclobutanecarboxamide?
The InChIKey is IZNAAJKIIFRHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2/c13-9-4-8(11(17)10(14)5-9)6-15-16-12(18)7-2-1-3-7/h4-7,17H,1-3H2,(H,16,18).
What are the key properties of N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclobutanecarboxamide?
N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclobutanecarboxamide has a molecular weight of 287.15 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclobutanecarboxamide is sourced from PubChem (CID 923595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).