N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]cyclopropanecarboxamide

C11H10Br2N2O2 — CID 2350489

IUPACN-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]cyclopropanecarboxamide
SMILESO=C(NN=Cc1cc(Br)c(O)c(Br)c1)C1CC1
InChIInChI=1S/C11H10Br2N2O2/c12-8-3-6(4-9(13)10(8)16)5-14-15-11(17)7-1-2-7/h3-5,7,16H,1-2H2,(H,15,17)
InChIKeyRHBFNKIZGBUTMH-UHFFFAOYSA-N
MW362.02 g/mol
LogP2.78
Rot. Bonds3

About N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]cyclopropanecarboxamide

N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]cyclopropanecarboxamide (PubChem CID 2350489) has the molecular formula C11H10Br2N2O2 and a molecular weight of 362.02 g/mol. Its IUPAC name is N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]cyclopropanecarboxamide
PubChem CID2350489
Molecular FormulaC11H10Br2N2O2
Molecular Weight362.02 g/mol
Exact Mass359.91
IUPAC NameN-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]cyclopropanecarboxamide
SMILESO=C(NN=Cc1cc(Br)c(O)c(Br)c1)C1CC1
InChIInChI=1S/C11H10Br2N2O2/c12-8-3-6(4-9(13)10(8)16)5-14-15-11(17)7-1-2-7/h3-5,7,16H,1-2H2,(H,15,17)
InChIKeyRHBFNKIZGBUTMH-UHFFFAOYSA-N
XLogP2.78
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.02
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(4-bromophenyl)methylideneamino]cyclopropanecarboxamide
CID 5394876
N-[(Z)-(3-bromophenyl)methylideneamino]cyclopropanecarboxamide
CID 5414194
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]oxane-4-carboxamide
CID 137362102
N-[(E)-(3-bromo-5-methoxy-4-propoxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 6908744
N-[(4-bromophenyl)methylideneamino]cyclohexanecarboxamide
CID 922325
N-[(E)-(4-bromothiophen-2-yl)methylideneamino]cyclopropanecarboxamide
CID 42995239
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide
CID 3810590
N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide
CID 135643712
N-[(2,3-dihydroxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 2693831
4-amino-N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide
CID 136789352
2,6-dibromo-4-[(E)-(methylhydrazinylidene)methyl]phenol
CID 136732876
N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 136858289

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]cyclopropanecarboxamide?
The IUPAC name of N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]cyclopropanecarboxamide (CID 2350489) is N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]cyclopropanecarboxamide?
The canonical SMILES for N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]cyclopropanecarboxamide is O=C(NN=Cc1cc(Br)c(O)c(Br)c1)C1CC1.
What is the InChIKey of N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]cyclopropanecarboxamide?
The InChIKey is RHBFNKIZGBUTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N2O2/c12-8-3-6(4-9(13)10(8)16)5-14-15-11(17)7-1-2-7/h3-5,7,16H,1-2H2,(H,15,17).
What are the key properties of N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]cyclopropanecarboxamide?
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]cyclopropanecarboxamide has a molecular weight of 362.02 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]cyclopropanecarboxamide is sourced from PubChem (CID 2350489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).