N-[(3-bromophenyl)methylideneamino]-2-hydroxy-5-iodobenzamide

C14H10BrIN2O2 — CID 2253634

IUPACN-[(3-bromophenyl)methylideneamino]-2-hydroxy-5-iodobenzamide
SMILESO=C(NN=Cc1cccc(Br)c1)c1cc(I)ccc1O
InChIInChI=1S/C14H10BrIN2O2/c15-10-3-1-2-9(6-10)8-17-18-14(20)12-7-11(16)4-5-13(12)19/h1-8,19H,(H,18,20)
InChIKeyLTZBLQLWYIPFJR-UHFFFAOYSA-N
MW445.05 g/mol
LogP3.52
Rot. Bonds3

About N-[(3-bromophenyl)methylideneamino]-2-hydroxy-5-iodobenzamide

N-[(3-bromophenyl)methylideneamino]-2-hydroxy-5-iodobenzamide (PubChem CID 2253634) has the molecular formula C14H10BrIN2O2 and a molecular weight of 445.05 g/mol. Its IUPAC name is N-[(3-bromophenyl)methylideneamino]-2-hydroxy-5-iodobenzamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methylideneamino]-2-hydroxy-5-iodobenzamide
PubChem CID2253634
Molecular FormulaC14H10BrIN2O2
Molecular Weight445.05 g/mol
Exact Mass443.90
IUPAC NameN-[(3-bromophenyl)methylideneamino]-2-hydroxy-5-iodobenzamide
SMILESO=C(NN=Cc1cccc(Br)c1)c1cc(I)ccc1O
InChIInChI=1S/C14H10BrIN2O2/c15-10-3-1-2-9(6-10)8-17-18-14(20)12-7-11(16)4-5-13(12)19/h1-8,19H,(H,18,20)
InChIKeyLTZBLQLWYIPFJR-UHFFFAOYSA-N
XLogP3.52
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.05
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-hydroxy-N-[(E)-(3-iodophenyl)methylideneamino]benzamide
CID 58811449
5-bromo-2-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 5335668
N-[(E)-(4-tert-butylphenyl)methylideneamino]-2-hydroxy-5-iodobenzamide
CID 5335636
3-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]benzamide
CID 135905942
N-[(3-bromophenyl)methylideneamino]-2-methylbenzamide
CID 4129922
N-[(3-bromophenyl)methylideneamino]-3-hydroxybenzamide
CID 2695972
5-bromo-2-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 867247
N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-iodobenzamide
CID 137020316
N,N'-bis[(E)-(3-bromophenyl)methylideneamino]propanediamide
CID 6894427
5-bromo-N-[(2,6-dichlorophenyl)methylideneamino]-2-hydroxybenzamide
CID 2246619
5-bromo-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136843544
4-amino-N-[(E)-(3-bromophenyl)methylideneamino]benzamide
CID 42995119

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methylideneamino]-2-hydroxy-5-iodobenzamide?
The IUPAC name of N-[(3-bromophenyl)methylideneamino]-2-hydroxy-5-iodobenzamide (CID 2253634) is N-[(3-bromophenyl)methylideneamino]-2-hydroxy-5-iodobenzamide.
What is the SMILES notation for N-[(3-bromophenyl)methylideneamino]-2-hydroxy-5-iodobenzamide?
The canonical SMILES for N-[(3-bromophenyl)methylideneamino]-2-hydroxy-5-iodobenzamide is O=C(NN=Cc1cccc(Br)c1)c1cc(I)ccc1O.
What is the InChIKey of N-[(3-bromophenyl)methylideneamino]-2-hydroxy-5-iodobenzamide?
The InChIKey is LTZBLQLWYIPFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrIN2O2/c15-10-3-1-2-9(6-10)8-17-18-14(20)12-7-11(16)4-5-13(12)19/h1-8,19H,(H,18,20).
What are the key properties of N-[(3-bromophenyl)methylideneamino]-2-hydroxy-5-iodobenzamide?
N-[(3-bromophenyl)methylideneamino]-2-hydroxy-5-iodobenzamide has a molecular weight of 445.05 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methylideneamino]-2-hydroxy-5-iodobenzamide is sourced from PubChem (CID 2253634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).