N-[(E)-(5-chloro-2-hydroxy-3-iodophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide

C21H16ClIN2O3 — CID 135592537

IUPACN-[(E)-(5-chloro-2-hydroxy-3-iodophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
SMILESO=C(N/N=C/c1cc(Cl)cc(I)c1O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16ClIN2O3/c22-17-11-14(19(26)18(23)12-17)13-24-25-20(27)21(28,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,26,28H,(H,25,27)/b24-13+
InChIKeyITMZKNJCHUJBKO-ZMOGYAJESA-N
MW506.73 g/mol
LogP4.04
Rot. Bonds5

About N-[(E)-(5-chloro-2-hydroxy-3-iodophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide

N-[(E)-(5-chloro-2-hydroxy-3-iodophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide (PubChem CID 135592537) has the molecular formula C21H16ClIN2O3 and a molecular weight of 506.73 g/mol. Its IUPAC name is N-[(E)-(5-chloro-2-hydroxy-3-iodophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(E)-(5-chloro-2-hydroxy-3-iodophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
PubChem CID135592537
Molecular FormulaC21H16ClIN2O3
Molecular Weight506.73 g/mol
Exact Mass505.99
IUPAC NameN-[(E)-(5-chloro-2-hydroxy-3-iodophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
SMILESO=C(N/N=C/c1cc(Cl)cc(I)c1O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16ClIN2O3/c22-17-11-14(19(26)18(23)12-17)13-24-25-20(27)21(28,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,26,28H,(H,25,27)/b24-13+
InChIKeyITMZKNJCHUJBKO-ZMOGYAJESA-N
XLogP4.04
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.73
LogP ≤ 54.04
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-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 135781632
2-hydroxy-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]-2,2-diphenylacetamide
CID 135533066
2-hydroxy-N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
CID 135642279
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
2,2-bis(4-chlorophenyl)-2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136663459
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
N-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 3444435
2-hydroxy-2,2-diphenyl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 3297687
2-hydroxy-N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-2,2-diphenylacetamide
CID 135765568
N-[[3,5-diiodo-4-(methylamino)phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 3556040

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-chloro-2-hydroxy-3-iodophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The IUPAC name of N-[(E)-(5-chloro-2-hydroxy-3-iodophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide (CID 135592537) is N-[(E)-(5-chloro-2-hydroxy-3-iodophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide.
What is the SMILES notation for N-[(E)-(5-chloro-2-hydroxy-3-iodophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The canonical SMILES for N-[(E)-(5-chloro-2-hydroxy-3-iodophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide is O=C(N/N=C/c1cc(Cl)cc(I)c1O)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(E)-(5-chloro-2-hydroxy-3-iodophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The InChIKey is ITMZKNJCHUJBKO-ZMOGYAJESA-N. The full InChI is InChI=1S/C21H16ClIN2O3/c22-17-11-14(19(26)18(23)12-17)13-24-25-20(27)21(28,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,26,28H,(H,25,27)/b24-13+.
What are the key properties of N-[(E)-(5-chloro-2-hydroxy-3-iodophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
N-[(E)-(5-chloro-2-hydroxy-3-iodophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide has a molecular weight of 506.73 g/mol, XLogP of 4.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-chloro-2-hydroxy-3-iodophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide is sourced from PubChem (CID 135592537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).