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

C11H10Cl2N2O2 — CID 922348

IUPACN-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclopropanecarboxamide
SMILESO=C(NN=Cc1cc(Cl)cc(Cl)c1O)C1CC1
InChIInChI=1S/C11H10Cl2N2O2/c12-8-3-7(10(16)9(13)4-8)5-14-15-11(17)6-1-2-6/h3-6,16H,1-2H2,(H,15,17)
InChIKeyAUNRKZWNIMAWOX-UHFFFAOYSA-N
MW273.12 g/mol
LogP2.56
Rot. Bonds3

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

N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclopropanecarboxamide (PubChem CID 922348) has the molecular formula C11H10Cl2N2O2 and a molecular weight of 273.12 g/mol. Its IUPAC name is N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclopropanecarboxamide
PubChem CID922348
Molecular FormulaC11H10Cl2N2O2
Molecular Weight273.12 g/mol
Exact Mass272.01
IUPAC NameN-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclopropanecarboxamide
SMILESO=C(NN=Cc1cc(Cl)cc(Cl)c1O)C1CC1
InChIInChI=1S/C11H10Cl2N2O2/c12-8-3-7(10(16)9(13)4-8)5-14-15-11(17)6-1-2-6/h3-6,16H,1-2H2,(H,15,17)
InChIKeyAUNRKZWNIMAWOX-UHFFFAOYSA-N
XLogP2.56
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 52.56
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]cyclopropanecarboxamide?
The IUPAC name of N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclopropanecarboxamide (CID 922348) is N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclopropanecarboxamide?
The canonical SMILES for N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclopropanecarboxamide is O=C(NN=Cc1cc(Cl)cc(Cl)c1O)C1CC1.
What is the InChIKey of N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclopropanecarboxamide?
The InChIKey is AUNRKZWNIMAWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O2/c12-8-3-7(10(16)9(13)4-8)5-14-15-11(17)6-1-2-6/h3-6,16H,1-2H2,(H,15,17).
What are the key properties of N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclopropanecarboxamide?
N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclopropanecarboxamide has a molecular weight of 273.12 g/mol, XLogP of 2.56, 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]cyclopropanecarboxamide is sourced from PubChem (CID 922348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).