N-[[3,5-diiodo-4-(methylamino)phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide

C22H19I2N3O2 — CID 3556040

IUPACN-[[3,5-diiodo-4-(methylamino)phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
SMILESCNc1c(I)cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1I
InChIInChI=1S/C22H19I2N3O2/c1-25-20-18(23)12-15(13-19(20)24)14-26-27-21(28)22(29,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,25,29H,1H3,(H,27,28)
InChIKeyVRMRNGDKMTZIRU-UHFFFAOYSA-N
MW611.22 g/mol
LogP4.32
Rot. Bonds6

About N-[[3,5-diiodo-4-(methylamino)phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide

N-[[3,5-diiodo-4-(methylamino)phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide (PubChem CID 3556040) has the molecular formula C22H19I2N3O2 and a molecular weight of 611.22 g/mol. Its IUPAC name is N-[[3,5-diiodo-4-(methylamino)phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[[3,5-diiodo-4-(methylamino)phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
PubChem CID3556040
Molecular FormulaC22H19I2N3O2
Molecular Weight611.22 g/mol
Exact Mass610.96
IUPAC NameN-[[3,5-diiodo-4-(methylamino)phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
SMILESCNc1c(I)cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1I
InChIInChI=1S/C22H19I2N3O2/c1-25-20-18(23)12-15(13-19(20)24)14-26-27-21(28)22(29,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,25,29H,1H3,(H,27,28)
InChIKeyVRMRNGDKMTZIRU-UHFFFAOYSA-N
XLogP4.32
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500611.22
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

2-hydroxy-N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-2,2-diphenylacetamide
CID 135765568
N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 136794022
N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 134094114
methyl 4-[[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]benzoate
CID 3753828
2-hydroxy-N-[(E)-[(2E)-2-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]ethylidene]amino]-2,2-diphenylacetamide
CID 46495023
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 6882140
2-hydroxy-2,2-diphenyl-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
CID 1281852
2-hydroxy-N-[(E)-(4-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
CID 6881941
N-[(E)-(5-chloro-2-hydroxy-3-iodophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 135592537
4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]-2-nitrophenolate
CID 7032585
2-hydroxy-2,2-diphenyl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 3297687
N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 5498937

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-diiodo-4-(methylamino)phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The IUPAC name of N-[[3,5-diiodo-4-(methylamino)phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide (CID 3556040) is N-[[3,5-diiodo-4-(methylamino)phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide.
What is the SMILES notation for N-[[3,5-diiodo-4-(methylamino)phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The canonical SMILES for N-[[3,5-diiodo-4-(methylamino)phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide is CNc1c(I)cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1I.
What is the InChIKey of N-[[3,5-diiodo-4-(methylamino)phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The InChIKey is VRMRNGDKMTZIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19I2N3O2/c1-25-20-18(23)12-15(13-19(20)24)14-26-27-21(28)22(29,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,25,29H,1H3,(H,27,28).
What are the key properties of N-[[3,5-diiodo-4-(methylamino)phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
N-[[3,5-diiodo-4-(methylamino)phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide has a molecular weight of 611.22 g/mol, XLogP of 4.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-diiodo-4-(methylamino)phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide is sourced from PubChem (CID 3556040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).