N-[2-[2-[(4-hydroxy-3-iodophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide

C23H20IN3O3 — CID 171147926

IUPACN-[2-[2-[(4-hydroxy-3-iodophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
SMILESO=C(CNC(=O)C(c1ccccc1)c1ccccc1)NN=Cc1ccc(O)c(I)c1
InChIInChI=1S/C23H20IN3O3/c24-19-13-16(11-12-20(19)28)14-26-27-21(29)15-25-23(30)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,22,28H,15H2,(H,25,30)(H,27,29)
InChIKeyZJWWWPSWOJSOSO-UHFFFAOYSA-N
MW513.34 g/mol
LogP3.40
Rot. Bonds7

About N-[2-[2-[(4-hydroxy-3-iodophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide

N-[2-[2-[(4-hydroxy-3-iodophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide (PubChem CID 171147926) has the molecular formula C23H20IN3O3 and a molecular weight of 513.34 g/mol. Its IUPAC name is N-[2-[2-[(4-hydroxy-3-iodophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[2-[2-[(4-hydroxy-3-iodophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
PubChem CID171147926
Molecular FormulaC23H20IN3O3
Molecular Weight513.34 g/mol
Exact Mass513.05
IUPAC NameN-[2-[2-[(4-hydroxy-3-iodophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
SMILESO=C(CNC(=O)C(c1ccccc1)c1ccccc1)NN=Cc1ccc(O)c(I)c1
InChIInChI=1S/C23H20IN3O3/c24-19-13-16(11-12-20(19)28)14-26-27-21(29)15-25-23(30)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,22,28H,15H2,(H,25,30)(H,27,29)
InChIKeyZJWWWPSWOJSOSO-UHFFFAOYSA-N
XLogP3.40
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.34
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-[2-[2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
CID 4612170
N-[2-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
CID 4234039
N-[2-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
CID 4653264
N-[2-(2-cinnamylidenehydrazinyl)-2-oxoethyl]-2,2-diphenylacetamide
CID 4598701
[4-[(Z)-[[2-[(2,2-diphenylacetyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate
CID 6304344
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2,2-diphenylacetamide
CID 135679569
2-iodo-4-[(Z)-(phenylhydrazinylidene)methyl]phenol
CID 137080181
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
CID 137156037
N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 135619927
N-[2-[(2Z)-2-[(2-hydroxy-3,5-dinitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
CID 136909108
[4-[(Z)-[[2-[(2,2-diphenylacetyl)amino]acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] thiophene-2-carboxylate
CID 6065644
2-chloro-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide
CID 135642762

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(4-hydroxy-3-iodophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide?
The IUPAC name of N-[2-[2-[(4-hydroxy-3-iodophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide (CID 171147926) is N-[2-[2-[(4-hydroxy-3-iodophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[2-[2-[(4-hydroxy-3-iodophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[2-[2-[(4-hydroxy-3-iodophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide is O=C(CNC(=O)C(c1ccccc1)c1ccccc1)NN=Cc1ccc(O)c(I)c1.
What is the InChIKey of N-[2-[2-[(4-hydroxy-3-iodophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide?
The InChIKey is ZJWWWPSWOJSOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20IN3O3/c24-19-13-16(11-12-20(19)28)14-26-27-21(29)15-25-23(30)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,22,28H,15H2,(H,25,30)(H,27,29).
What are the key properties of N-[2-[2-[(4-hydroxy-3-iodophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide?
N-[2-[2-[(4-hydroxy-3-iodophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide has a molecular weight of 513.34 g/mol, XLogP of 3.40, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(4-hydroxy-3-iodophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide is sourced from PubChem (CID 171147926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).