N-[(E)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide

C28H23FN2O3 — CID 96890733

IUPACN-[(E)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
SMILESO=C(N/N=C/c1ccc(OCc2cccc(F)c2)cc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H23FN2O3/c29-25-13-7-8-22(18-25)20-34-26-16-14-21(15-17-26)19-30-31-27(32)28(33,23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-19,33H,20H2,(H,31,32)/b30-19+
InChIKeyQFQIUBJBXHBLDM-NDZAJKAJSA-N
MW454.50 g/mol
LogP4.79
Rot. Bonds8

About N-[(E)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide

N-[(E)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide (PubChem CID 96890733) has the molecular formula C28H23FN2O3 and a molecular weight of 454.50 g/mol. Its IUPAC name is N-[(E)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(E)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
PubChem CID96890733
Molecular FormulaC28H23FN2O3
Molecular Weight454.50 g/mol
Exact Mass454.17
IUPAC NameN-[(E)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
SMILESO=C(N/N=C/c1ccc(OCc2cccc(F)c2)cc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H23FN2O3/c29-25-13-7-8-22(18-25)20-34-26-16-14-21(15-17-26)19-30-31-27(32)28(33,23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-19,33H,20H2,(H,31,32)/b30-19+
InChIKeyQFQIUBJBXHBLDM-NDZAJKAJSA-N
XLogP4.79
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.50
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 97262973
N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 126191522
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-4-pyrrol-1-ylbenzamide
CID 5081535
N-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 4008374
N,N'-bis[(4-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 3730577
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 573095
2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide
CID 3263920
1-hydroxy-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]urea
CID 101171447
2-(4-phenylmethoxyphenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4259945
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-fluorobenzamide
CID 6089080
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,2-dimethylpropanamide
CID 37469359
N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 2692945

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The IUPAC name of N-[(E)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide (CID 96890733) is N-[(E)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide.
What is the SMILES notation for N-[(E)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The canonical SMILES for N-[(E)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide is O=C(N/N=C/c1ccc(OCc2cccc(F)c2)cc1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(E)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The InChIKey is QFQIUBJBXHBLDM-NDZAJKAJSA-N. The full InChI is InChI=1S/C28H23FN2O3/c29-25-13-7-8-22(18-25)20-34-26-16-14-21(15-17-26)19-30-31-27(32)28(33,23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-19,33H,20H2,(H,31,32)/b30-19+.
What are the key properties of N-[(E)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
N-[(E)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide has a molecular weight of 454.50 g/mol, XLogP of 4.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide is sourced from PubChem (CID 96890733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).