N-[(Z)-[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide

C29H24BrFN2O4 — CID 6156626

IUPACN-[(Z)-[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
SMILESCOc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c(Br)cc1OCc1ccc(F)cc1
InChIInChI=1S/C29H24BrFN2O4/c1-36-26-16-21(25(30)17-27(26)37-19-20-12-14-24(31)15-13-20)18-32-33-28(34)29(35,22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-18,35H,19H2,1H3,(H,33,34)/b32-18-
InChIKeyDHHXXMFPEJUAJX-CAQPMQTCSA-N
MW563.42 g/mol
LogP5.56
Rot. Bonds9

About N-[(Z)-[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide

N-[(Z)-[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide (PubChem CID 6156626) has the molecular formula C29H24BrFN2O4 and a molecular weight of 563.42 g/mol. Its IUPAC name is N-[(Z)-[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(Z)-[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
PubChem CID6156626
Molecular FormulaC29H24BrFN2O4
Molecular Weight563.42 g/mol
Exact Mass562.09
IUPAC NameN-[(Z)-[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
SMILESCOc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c(Br)cc1OCc1ccc(F)cc1
InChIInChI=1S/C29H24BrFN2O4/c1-36-26-16-21(25(30)17-27(26)37-19-20-12-14-24(31)15-13-20)18-32-33-28(34)29(35,22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-18,35H,19H2,1H3,(H,33,34)/b32-18-
InChIKeyDHHXXMFPEJUAJX-CAQPMQTCSA-N
XLogP5.56
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.42
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(Z)-[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]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-[(Z)-[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 6164929
N-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3667071
3,5-dibromo-N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 3448520
N-[[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 3558422
2-hydroxy-2,2-diphenyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 3486286
N-[(Z)-[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-chloro-4-methylbenzamide
CID 126058299
N-[(E)-[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]benzamide
CID 126085583
N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 124543066
3-[(2Z)-2-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 19580133
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 9016566
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 1001834
N-[(E)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126338184

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The IUPAC name of N-[(Z)-[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide (CID 6156626) is N-[(Z)-[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide.
What is the SMILES notation for N-[(Z)-[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The canonical SMILES for N-[(Z)-[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide is COc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c(Br)cc1OCc1ccc(F)cc1.
What is the InChIKey of N-[(Z)-[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The InChIKey is DHHXXMFPEJUAJX-CAQPMQTCSA-N. The full InChI is InChI=1S/C29H24BrFN2O4/c1-36-26-16-21(25(30)17-27(26)37-19-20-12-14-24(31)15-13-20)18-32-33-28(34)29(35,22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-18,35H,19H2,1H3,(H,33,34)/b32-18-.
What are the key properties of N-[(Z)-[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
N-[(Z)-[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide has a molecular weight of 563.42 g/mol, XLogP of 5.56, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide is sourced from PubChem (CID 6156626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).