N-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-fluorobenzamide

C14H9BrFIN2O2 — CID 1378674

IUPACN-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-fluorobenzamide
SMILESO=C(NN=Cc1cc(Br)cc(I)c1O)c1cccc(F)c1
InChIInChI=1S/C14H9BrFIN2O2/c15-10-4-9(13(20)12(17)6-10)7-18-19-14(21)8-2-1-3-11(16)5-8/h1-7,20H,(H,19,21)
InChIKeyZKIUWOABNNPNHC-UHFFFAOYSA-N
MW463.04 g/mol
LogP3.66
Rot. Bonds3

About N-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-fluorobenzamide

N-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-fluorobenzamide (PubChem CID 1378674) has the molecular formula C14H9BrFIN2O2 and a molecular weight of 463.04 g/mol. Its IUPAC name is N-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-fluorobenzamide
PubChem CID1378674
Molecular FormulaC14H9BrFIN2O2
Molecular Weight463.04 g/mol
Exact Mass461.89
IUPAC NameN-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-fluorobenzamide
SMILESO=C(NN=Cc1cc(Br)cc(I)c1O)c1cccc(F)c1
InChIInChI=1S/C14H9BrFIN2O2/c15-10-4-9(13(20)12(17)6-10)7-18-19-14(21)8-2-1-3-11(16)5-8/h1-7,20H,(H,19,21)
InChIKeyZKIUWOABNNPNHC-UHFFFAOYSA-N
XLogP3.66
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.04
LogP ≤ 53.66
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide
CID 136828048
1-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea
CID 137138183
1,3-bis[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea
CID 3450915
N-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-4-nitrobenzamide
CID 3252277
N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]furan-2-carboxamide
CID 137173095
N-[(E)-(3-bromophenyl)methylideneamino]-3-fluorobenzamide
CID 5332626
N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-methoxybenzamide
CID 137043306
[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea
CID 136887163
N-[2-[(2E)-2-[(5-bromo-2-hydroxy-3-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-fluorobenzamide
CID 135419454
N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 137168382
N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 137066625
3-fluoro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
CID 4031826

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-fluorobenzamide?
The IUPAC name of N-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-fluorobenzamide (CID 1378674) is N-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-fluorobenzamide.
What is the SMILES notation for N-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-fluorobenzamide?
The canonical SMILES for N-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-fluorobenzamide is O=C(NN=Cc1cc(Br)cc(I)c1O)c1cccc(F)c1.
What is the InChIKey of N-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-fluorobenzamide?
The InChIKey is ZKIUWOABNNPNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFIN2O2/c15-10-4-9(13(20)12(17)6-10)7-18-19-14(21)8-2-1-3-11(16)5-8/h1-7,20H,(H,19,21).
What are the key properties of N-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-fluorobenzamide?
N-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-fluorobenzamide has a molecular weight of 463.04 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-fluorobenzamide is sourced from PubChem (CID 1378674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).