N-[[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-4-pyrrol-1-ylbenzamide

C25H20FN3O2 — CID 5081535

IUPACN-[[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-4-pyrrol-1-ylbenzamide
SMILESO=C(NN=Cc1ccc(OCc2cccc(F)c2)cc1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C25H20FN3O2/c26-22-5-3-4-20(16-22)18-31-24-12-6-19(7-13-24)17-27-28-25(30)21-8-10-23(11-9-21)29-14-1-2-15-29/h1-17H,18H2,(H,28,30)
InChIKeyVCHGXJMLAVEZIO-UHFFFAOYSA-N
MW413.45 g/mol
LogP4.96
Rot. Bonds7

About N-[[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-4-pyrrol-1-ylbenzamide

N-[[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-4-pyrrol-1-ylbenzamide (PubChem CID 5081535) has the molecular formula C25H20FN3O2 and a molecular weight of 413.45 g/mol. Its IUPAC name is N-[[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-4-pyrrol-1-ylbenzamide
PubChem CID5081535
Molecular FormulaC25H20FN3O2
Molecular Weight413.45 g/mol
Exact Mass413.15
IUPAC NameN-[[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-4-pyrrol-1-ylbenzamide
SMILESO=C(NN=Cc1ccc(OCc2cccc(F)c2)cc1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C25H20FN3O2/c26-22-5-3-4-20(16-22)18-31-24-12-6-19(7-13-24)17-27-28-25(30)21-8-10-23(11-9-21)29-14-1-2-15-29/h1-17H,18H2,(H,28,30)
InChIKeyVCHGXJMLAVEZIO-UHFFFAOYSA-N
XLogP4.96
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 54.96
H-Bond Donors ≤ 51
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-[[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-4-pyrrol-1-ylbenzamide 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)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-fluorobenzamide
CID 6089080
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 573095
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide
CID 1274166
N-[(E)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-ethoxybenzamide
CID 17246369
N-[(E)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 97262973
N-[(E)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 96890733
4-fluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 679117
4-pyrrol-1-yl-N-[(E)-[3-[2-[2-(4-pyrrol-1-ylbenzoyl)hydrazinyl]ethyl]phenyl]methylideneamino]benzamide
CID 172933397
4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 584913
4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6117105
N-[(4-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932926

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-4-pyrrol-1-ylbenzamide (CID 5081535) is N-[[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-4-pyrrol-1-ylbenzamide is O=C(NN=Cc1ccc(OCc2cccc(F)c2)cc1)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-4-pyrrol-1-ylbenzamide?
The InChIKey is VCHGXJMLAVEZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O2/c26-22-5-3-4-20(16-22)18-31-24-12-6-19(7-13-24)17-27-28-25(30)21-8-10-23(11-9-21)29-14-1-2-15-29/h1-17H,18H2,(H,28,30).
What are the key properties of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-4-pyrrol-1-ylbenzamide?
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-4-pyrrol-1-ylbenzamide has a molecular weight of 413.45 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 5081535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).