N-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide

C21H16Br2N2O4 — CID 135781632

IUPACN-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
SMILESO=C(N/N=C\c1cc(Br)c(O)c(Br)c1O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16Br2N2O4/c22-16-11-13(18(26)17(23)19(16)27)12-24-25-20(28)21(29,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,26-27,29H,(H,25,28)/b24-12-
InChIKeyNCCRKXIBWCUQAY-MSXFZWOLSA-N
MW520.18 g/mol
LogP4.01
Rot. Bonds5

About N-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide

N-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide (PubChem CID 135781632) has the molecular formula C21H16Br2N2O4 and a molecular weight of 520.18 g/mol. Its IUPAC name is N-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
PubChem CID135781632
Molecular FormulaC21H16Br2N2O4
Molecular Weight520.18 g/mol
Exact Mass517.95
IUPAC NameN-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
SMILESO=C(N/N=C\c1cc(Br)c(O)c(Br)c1O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16Br2N2O4/c22-16-11-13(18(26)17(23)19(16)27)12-24-25-20(28)21(29,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,26-27,29H,(H,25,28)/b24-12-
InChIKeyNCCRKXIBWCUQAY-MSXFZWOLSA-N
XLogP4.01
TPSA102.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.18
LogP ≤ 54.01
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]-2,2-diphenylacetamide
CID 135533066
N-[(E)-(5-chloro-2-hydroxy-3-iodophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 135592537
2-hydroxy-N-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2,2-diphenylacetamide
CID 136713953
2-hydroxy-N-[(2-hydroxy-5-methylphenyl)methylideneamino]-2,2-diphenylacetamide
CID 3317398
2-hydroxy-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2,2-diphenylacetamide
CID 137084970
2-hydroxy-N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2,2-diphenylacetamide
CID 135479551
2-hydroxy-N-[(E)-[(2E)-2-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]ethylidene]amino]-2,2-diphenylacetamide
CID 46495023
2-hydroxy-N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-2,2-diphenylacetamide
CID 135765568
2-hydroxy-2,2-diphenyl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 3297687
2-hydroxy-N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
CID 135642279
N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 41271343
N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 136794022

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The IUPAC name of N-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide (CID 135781632) is N-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide.
What is the SMILES notation for N-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The canonical SMILES for N-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide is O=C(N/N=C\c1cc(Br)c(O)c(Br)c1O)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The InChIKey is NCCRKXIBWCUQAY-MSXFZWOLSA-N. The full InChI is InChI=1S/C21H16Br2N2O4/c22-16-11-13(18(26)17(23)19(16)27)12-24-25-20(28)21(29,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,26-27,29H,(H,25,28)/b24-12-.
What are the key properties of N-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
N-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide has a molecular weight of 520.18 g/mol, XLogP of 4.01, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide is sourced from PubChem (CID 135781632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).