2-(4-bromophenyl)-N-[(E)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide

C15H12BrIN2O2 — CID 135579434

IUPAC2-(4-bromophenyl)-N-[(E)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide
SMILESO=C(Cc1ccc(Br)cc1)N/N=C/c1cc(I)ccc1O
InChIInChI=1S/C15H12BrIN2O2/c16-12-3-1-10(2-4-12)7-15(21)19-18-9-11-8-13(17)5-6-14(11)20/h1-6,8-9,20H,7H2,(H,19,21)/b18-9+
InChIKeyKEIGBAWUVVXBEF-GIJQJNRQSA-N
MW459.08 g/mol
LogP3.45
Rot. Bonds4

About 2-(4-bromophenyl)-N-[(E)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide

2-(4-bromophenyl)-N-[(E)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide (PubChem CID 135579434) has the molecular formula C15H12BrIN2O2 and a molecular weight of 459.08 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(E)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(E)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide
PubChem CID135579434
Molecular FormulaC15H12BrIN2O2
Molecular Weight459.08 g/mol
Exact Mass457.91
IUPAC Name2-(4-bromophenyl)-N-[(E)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide
SMILESO=C(Cc1ccc(Br)cc1)N/N=C/c1cc(I)ccc1O
InChIInChI=1S/C15H12BrIN2O2/c16-12-3-1-10(2-4-12)7-15(21)19-18-9-11-8-13(17)5-6-14(11)20/h1-6,8-9,20H,7H2,(H,19,21)/b18-9+
InChIKeyKEIGBAWUVVXBEF-GIJQJNRQSA-N
XLogP3.45
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.08
LogP ≤ 53.45
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

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 135627954
3-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]benzamide
CID 135905942
2-(4-bromophenyl)-N-[(E)-[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]acetamide
CID 135579462
2-(4-bromo-2-nitrophenoxy)-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide
CID 136802325
5-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]pyridine-3-carboxamide
CID 136739125
2-(4-chlorophenyl)sulfanyl-N-[(2-hydroxy-5-iodophenyl)methylideneamino]acetamide
CID 4220712
N-[2-[(2E)-2-[(2-hydroxy-5-iodophenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 135684775
2-(4-bromophenyl)-N-[(Z)-[3-[(4-iodophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 98050626
1,3-bis[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
CID 136870132
2-(4-bromophenyl)-N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]acetamide
CID 19061362
[2-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 136700893
4-fluoro-N-[(2-hydroxy-5-iodophenyl)methylideneamino]benzamide
CID 4220213

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(E)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[(E)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide (CID 135579434) is 2-(4-bromophenyl)-N-[(E)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(E)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[(E)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide is O=C(Cc1ccc(Br)cc1)N/N=C/c1cc(I)ccc1O.
What is the InChIKey of 2-(4-bromophenyl)-N-[(E)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide?
The InChIKey is KEIGBAWUVVXBEF-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H12BrIN2O2/c16-12-3-1-10(2-4-12)7-15(21)19-18-9-11-8-13(17)5-6-14(11)20/h1-6,8-9,20H,7H2,(H,19,21)/b18-9+.
What are the key properties of 2-(4-bromophenyl)-N-[(E)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide?
2-(4-bromophenyl)-N-[(E)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide has a molecular weight of 459.08 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(E)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide is sourced from PubChem (CID 135579434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).