N-[(E)-(3,4-difluorophenyl)methylideneamino]-4-(naphthalen-2-yloxymethyl)benzamide

C25H18F2N2O2 — CID 16553490

IUPACN-[(E)-(3,4-difluorophenyl)methylideneamino]-4-(naphthalen-2-yloxymethyl)benzamide
SMILESO=C(N/N=C/c1ccc(F)c(F)c1)c1ccc(COc2ccc3ccccc3c2)cc1
InChIInChI=1S/C25H18F2N2O2/c26-23-12-7-18(13-24(23)27)15-28-29-25(30)20-8-5-17(6-9-20)16-31-22-11-10-19-3-1-2-4-21(19)14-22/h1-15H,16H2,(H,29,30)/b28-15+
InChIKeyYCLGPCIQJIYPKL-RWPZCVJISA-N
MW416.43 g/mol
LogP5.46
Rot. Bonds6

About N-[(E)-(3,4-difluorophenyl)methylideneamino]-4-(naphthalen-2-yloxymethyl)benzamide

N-[(E)-(3,4-difluorophenyl)methylideneamino]-4-(naphthalen-2-yloxymethyl)benzamide (PubChem CID 16553490) has the molecular formula C25H18F2N2O2 and a molecular weight of 416.43 g/mol. Its IUPAC name is N-[(E)-(3,4-difluorophenyl)methylideneamino]-4-(naphthalen-2-yloxymethyl)benzamide.

Molecular Properties

Compound NameN-[(E)-(3,4-difluorophenyl)methylideneamino]-4-(naphthalen-2-yloxymethyl)benzamide
PubChem CID16553490
Molecular FormulaC25H18F2N2O2
Molecular Weight416.43 g/mol
Exact Mass416.13
IUPAC NameN-[(E)-(3,4-difluorophenyl)methylideneamino]-4-(naphthalen-2-yloxymethyl)benzamide
SMILESO=C(N/N=C/c1ccc(F)c(F)c1)c1ccc(COc2ccc3ccccc3c2)cc1
InChIInChI=1S/C25H18F2N2O2/c26-23-12-7-18(13-24(23)27)15-28-29-25(30)20-8-5-17(6-9-20)16-31-22-11-10-19-3-1-2-4-21(19)14-22/h1-15H,16H2,(H,29,30)/b28-15+
InChIKeyYCLGPCIQJIYPKL-RWPZCVJISA-N
XLogP5.46
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.43
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(E)-(3,4-difluorophenyl)methylideneamino]-4-(naphthalen-2-yloxymethyl)benzamide 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

4-[(4-chlorophenyl)methoxy]-N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3585979
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 573095
4-fluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 679117
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide
CID 6057561
4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6117105
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6046963
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-4-(naphthalen-2-yloxymethyl)benzamide
CID 7928974
4-[(4-chlorophenyl)methoxy]-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 51061006
4-chloro-N-[(Z)-[3-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]benzamide
CID 126198104
N-[(Z)-(3,4-difluorophenyl)methylideneamino]-4-fluorobenzamide
CID 9016709
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763
4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 584913

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4-difluorophenyl)methylideneamino]-4-(naphthalen-2-yloxymethyl)benzamide?
The IUPAC name of N-[(E)-(3,4-difluorophenyl)methylideneamino]-4-(naphthalen-2-yloxymethyl)benzamide (CID 16553490) is N-[(E)-(3,4-difluorophenyl)methylideneamino]-4-(naphthalen-2-yloxymethyl)benzamide.
What is the SMILES notation for N-[(E)-(3,4-difluorophenyl)methylideneamino]-4-(naphthalen-2-yloxymethyl)benzamide?
The canonical SMILES for N-[(E)-(3,4-difluorophenyl)methylideneamino]-4-(naphthalen-2-yloxymethyl)benzamide is O=C(N/N=C/c1ccc(F)c(F)c1)c1ccc(COc2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[(E)-(3,4-difluorophenyl)methylideneamino]-4-(naphthalen-2-yloxymethyl)benzamide?
The InChIKey is YCLGPCIQJIYPKL-RWPZCVJISA-N. The full InChI is InChI=1S/C25H18F2N2O2/c26-23-12-7-18(13-24(23)27)15-28-29-25(30)20-8-5-17(6-9-20)16-31-22-11-10-19-3-1-2-4-21(19)14-22/h1-15H,16H2,(H,29,30)/b28-15+.
What are the key properties of N-[(E)-(3,4-difluorophenyl)methylideneamino]-4-(naphthalen-2-yloxymethyl)benzamide?
N-[(E)-(3,4-difluorophenyl)methylideneamino]-4-(naphthalen-2-yloxymethyl)benzamide has a molecular weight of 416.43 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-difluorophenyl)methylideneamino]-4-(naphthalen-2-yloxymethyl)benzamide is sourced from PubChem (CID 16553490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).