N-[(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-iodoanilino)acetamide

C15H13BrIN3O3 — CID 3885951

IUPACN-[(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-iodoanilino)acetamide
SMILESO=C(CNc1ccc(I)cc1)NN=Cc1cc(Br)c(O)cc1O
InChIInChI=1S/C15H13BrIN3O3/c16-12-5-9(13(21)6-14(12)22)7-19-20-15(23)8-18-11-3-1-10(17)2-4-11/h1-7,18,21-22H,8H2,(H,20,23)
InChIKeySGLBGHBNCRQYNG-UHFFFAOYSA-N
MW490.10 g/mol
LogP3.03
Rot. Bonds5

About N-[(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-iodoanilino)acetamide

N-[(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-iodoanilino)acetamide (PubChem CID 3885951) has the molecular formula C15H13BrIN3O3 and a molecular weight of 490.10 g/mol. Its IUPAC name is N-[(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-iodoanilino)acetamide.

Molecular Properties

Compound NameN-[(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-iodoanilino)acetamide
PubChem CID3885951
Molecular FormulaC15H13BrIN3O3
Molecular Weight490.10 g/mol
Exact Mass488.92
IUPAC NameN-[(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-iodoanilino)acetamide
SMILESO=C(CNc1ccc(I)cc1)NN=Cc1cc(Br)c(O)cc1O
InChIInChI=1S/C15H13BrIN3O3/c16-12-5-9(13(21)6-14(12)22)7-19-20-15(23)8-18-11-3-1-10(17)2-4-11/h1-7,18,21-22H,8H2,(H,20,23)
InChIKeySGLBGHBNCRQYNG-UHFFFAOYSA-N
XLogP3.03
TPSA93.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.10
LogP ≤ 53.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', '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-[(Z)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-(4-iodoanilino)acetamide
CID 98097976
2-(3,5-dibromo-4-methylanilino)-N-[(2,4-dihydroxyphenyl)methylideneamino]acetamide
CID 3374779
2-(4-bromoanilino)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 135678709
N-[(Z)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-2-(4-iodoanilino)acetamide
CID 126272280
N-[(4-chlorophenyl)methylideneamino]-2-(4-iodoanilino)acetamide
CID 1376174
N-[(4-fluorophenyl)methylideneamino]-2-(4-iodoanilino)acetamide
CID 1376291
N-[(Z)-(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 136824224
N-[(Z)-(3-bromo-4,5-diethoxyphenyl)methylideneamino]-2-(4-iodoanilino)acetamide
CID 126274682
2-(3-bromoanilino)-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 136800236
2-(4-bromophenyl)-N-[(E)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide
CID 135579434
2-(4-fluoroanilino)-N-[(Z)-(2-hydroxy-5-methylphenyl)methylideneamino]acetamide
CID 137168688
N-[(Z)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide
CID 137022207

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-iodoanilino)acetamide?
The IUPAC name of N-[(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-iodoanilino)acetamide (CID 3885951) is N-[(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-iodoanilino)acetamide.
What is the SMILES notation for N-[(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-iodoanilino)acetamide?
The canonical SMILES for N-[(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-iodoanilino)acetamide is O=C(CNc1ccc(I)cc1)NN=Cc1cc(Br)c(O)cc1O.
What is the InChIKey of N-[(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-iodoanilino)acetamide?
The InChIKey is SGLBGHBNCRQYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrIN3O3/c16-12-5-9(13(21)6-14(12)22)7-19-20-15(23)8-18-11-3-1-10(17)2-4-11/h1-7,18,21-22H,8H2,(H,20,23).
What are the key properties of N-[(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-iodoanilino)acetamide?
N-[(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-iodoanilino)acetamide has a molecular weight of 490.10 g/mol, XLogP of 3.03, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-iodoanilino)acetamide is sourced from PubChem (CID 3885951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).