2-(3-bromoanilino)-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide

C15H12BrI2N3O2 — CID 136800236

IUPAC2-(3-bromoanilino)-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
SMILESO=C(CNc1cccc(Br)c1)N/N=C\c1cc(I)cc(I)c1O
InChIInChI=1S/C15H12BrI2N3O2/c16-10-2-1-3-12(5-10)19-8-14(22)21-20-7-9-4-11(17)6-13(18)15(9)23/h1-7,19,23H,8H2,(H,21,22)/b20-7-
InChIKeyOOOQUCXHNDKLSD-SCDVKCJHSA-N
MW599.99 g/mol
LogP3.93
Rot. Bonds5

About 2-(3-bromoanilino)-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide

2-(3-bromoanilino)-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide (PubChem CID 136800236) has the molecular formula C15H12BrI2N3O2 and a molecular weight of 599.99 g/mol. Its IUPAC name is 2-(3-bromoanilino)-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-bromoanilino)-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
PubChem CID136800236
Molecular FormulaC15H12BrI2N3O2
Molecular Weight599.99 g/mol
Exact Mass598.82
IUPAC Name2-(3-bromoanilino)-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
SMILESO=C(CNc1cccc(Br)c1)N/N=C\c1cc(I)cc(I)c1O
InChIInChI=1S/C15H12BrI2N3O2/c16-10-2-1-3-12(5-10)19-8-14(22)21-20-7-9-4-11(17)6-13(18)15(9)23/h1-7,19,23H,8H2,(H,21,22)/b20-7-
InChIKeyOOOQUCXHNDKLSD-SCDVKCJHSA-N
XLogP3.93
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500599.99
LogP ≤ 53.93
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-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 4030750
N-[(Z)-(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 136824224
2-(3-bromoanilino)-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide
CID 19617349
4-bromo-2-[(E)-[(3-bromophenyl)hydrazinylidene]methyl]-6-iodophenol
CID 135533846
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 135717023
2-(3-bromoanilino)-N-(4-iodophenyl)acetamide
CID 26416177
2-(3-bromoanilino)-N-[(Z)-[(2Z)-2-[[2-(3-bromoanilino)acetyl]hydrazinylidene]propylidene]amino]acetamide
CID 6415089
2-cyano-N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 3112408
2-(3-bromoanilino)-N-[(Z)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 136670369
N-[(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-iodoanilino)acetamide
CID 3885951
N-[(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 4573308
2-anilino-N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]acetamide
CID 136736930

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(3-bromoanilino)-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide (CID 136800236) is 2-(3-bromoanilino)-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3-bromoanilino)-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(3-bromoanilino)-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide is O=C(CNc1cccc(Br)c1)N/N=C\c1cc(I)cc(I)c1O.
What is the InChIKey of 2-(3-bromoanilino)-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide?
The InChIKey is OOOQUCXHNDKLSD-SCDVKCJHSA-N. The full InChI is InChI=1S/C15H12BrI2N3O2/c16-10-2-1-3-12(5-10)19-8-14(22)21-20-7-9-4-11(17)6-13(18)15(9)23/h1-7,19,23H,8H2,(H,21,22)/b20-7-.
What are the key properties of 2-(3-bromoanilino)-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide?
2-(3-bromoanilino)-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide has a molecular weight of 599.99 g/mol, XLogP of 3.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide is sourced from PubChem (CID 136800236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).