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

C15H12BrIN2O3 — CID 135479570

IUPACN-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
SMILESO=C(N/N=C/c1cc(Br)cc(I)c1O)C(O)c1ccccc1
InChIInChI=1S/C15H12BrIN2O3/c16-11-6-10(13(20)12(17)7-11)8-18-19-15(22)14(21)9-4-2-1-3-5-9/h1-8,14,20-21H,(H,19,22)/b18-8+
InChIKeyRIQMAEJWSXOWLD-QGMBQPNBSA-N
MW475.08 g/mol
LogP2.94
Rot. Bonds4

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

N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide (PubChem CID 135479570) has the molecular formula C15H12BrIN2O3 and a molecular weight of 475.08 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
PubChem CID135479570
Molecular FormulaC15H12BrIN2O3
Molecular Weight475.08 g/mol
Exact Mass473.91
IUPAC NameN-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
SMILESO=C(N/N=C/c1cc(Br)cc(I)c1O)C(O)c1ccccc1
InChIInChI=1S/C15H12BrIN2O3/c16-11-6-10(13(20)12(17)7-11)8-18-19-15(22)14(21)9-4-2-1-3-5-9/h1-8,14,20-21H,(H,19,22)/b18-8+
InChIKeyRIQMAEJWSXOWLD-QGMBQPNBSA-N
XLogP2.94
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.08
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 2853257
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
2-hydroxy-N-[(2-hydroxy-5-iodophenyl)methylideneamino]-2-phenylacetamide
CID 3909034
(2R)-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylacetamide
CID 135674788
[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea
CID 136887163
(2R)-N-[(3-bromophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 905815
ethyl N-[(1S)-3-[(2Z)-2-[(5-bromo-2-hydroxy-3-iodophenyl)methylidene]hydrazinyl]-3-oxo-1-phenylpropyl]carbamate
CID 137127338
2-hydroxy-N-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-2-phenylacetamide
CID 135504378
(2R)-N-[(Z)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 136816629
(2S)-N-[(Z)-[4-[(4-bromophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 126147597
(2R)-2-hydroxy-N-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-phenylacetamide
CID 136912785

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide?
The IUPAC name of N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide (CID 135479570) is N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide is O=C(N/N=C/c1cc(Br)cc(I)c1O)C(O)c1ccccc1.
What is the InChIKey of N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide?
The InChIKey is RIQMAEJWSXOWLD-QGMBQPNBSA-N. The full InChI is InChI=1S/C15H12BrIN2O3/c16-11-6-10(13(20)12(17)7-11)8-18-19-15(22)14(21)9-4-2-1-3-5-9/h1-8,14,20-21H,(H,19,22)/b18-8+.
What are the key properties of N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide?
N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide has a molecular weight of 475.08 g/mol, XLogP of 2.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 135479570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).