N'-(4-cyanophenyl)-3-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide

C21H15F2N3O — CID 90241589

IUPACN'-(4-cyanophenyl)-3-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide
SMILESN#Cc1ccc(/N=C(\N)c2cccc(OCc3cccc(F)c3F)c2)cc1
InChIInChI=1S/C21H15F2N3O/c22-19-6-2-4-16(20(19)23)13-27-18-5-1-3-15(11-18)21(25)26-17-9-7-14(12-24)8-10-17/h1-11H,13H2,(H2,25,26)
InChIKeyKOGUPNFIOSOPNA-UHFFFAOYSA-N
MW363.37 g/mol
LogP4.45
Rot. Bonds5

About N'-(4-cyanophenyl)-3-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide

N'-(4-cyanophenyl)-3-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide (PubChem CID 90241589) has the molecular formula C21H15F2N3O and a molecular weight of 363.37 g/mol. Its IUPAC name is N'-(4-cyanophenyl)-3-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound NameN'-(4-cyanophenyl)-3-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide
PubChem CID90241589
Molecular FormulaC21H15F2N3O
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC NameN'-(4-cyanophenyl)-3-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide
SMILESN#Cc1ccc(/N=C(\N)c2cccc(OCc3cccc(F)c3F)c2)cc1
InChIInChI=1S/C21H15F2N3O/c22-19-6-2-4-16(20(19)23)13-27-18-5-1-3-15(11-18)21(25)26-17-9-7-14(12-24)8-10-17/h1-11H,13H2,(H2,25,26)
InChIKeyKOGUPNFIOSOPNA-UHFFFAOYSA-N
XLogP4.45
TPSA71.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-(4-cyanophenyl)-3-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide 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

3-[(2,3-difluorophenyl)methoxy]benzonitrile
CID 43231297
N'-(4-cyanophenyl)-3-fluorobenzenecarboximidamide
CID 71349171
4-[(2,3-difluorophenyl)methoxy]-2-fluorobenzonitrile
CID 78952689
3-[(2,3-difluorophenyl)methoxy]phenol
CID 43659030
2-fluoro-3-[(3-hydroxyphenoxy)methyl]benzonitrile
CID 107118700
3-chloro-4-[(2,3-difluorophenyl)methoxy]benzonitrile
CID 60695071
4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzonitrile
CID 43231298
3-[(3-bromophenoxy)methyl]-2-fluorobenzonitrile
CID 107115105
3-[(4-cyanophenyl)methoxy]benzamide
CID 18354600
2-fluoro-3-[(3-methoxyphenoxy)methyl]benzonitrile
CID 107115097
4-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide
CID 43658904
4-[(2-fluorophenyl)methoxy]benzonitrile;[4-[(2-fluorophenyl)methoxy]phenyl]methanamine;4-hydroxybenzonitrile
CID 157088267

Frequently Asked Questions

What is the IUPAC name of N'-(4-cyanophenyl)-3-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide?
The IUPAC name of N'-(4-cyanophenyl)-3-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide (CID 90241589) is N'-(4-cyanophenyl)-3-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide.
What is the SMILES notation for N'-(4-cyanophenyl)-3-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide?
The canonical SMILES for N'-(4-cyanophenyl)-3-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide is N#Cc1ccc(/N=C(\N)c2cccc(OCc3cccc(F)c3F)c2)cc1.
What is the InChIKey of N'-(4-cyanophenyl)-3-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide?
The InChIKey is KOGUPNFIOSOPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O/c22-19-6-2-4-16(20(19)23)13-27-18-5-1-3-15(11-18)21(25)26-17-9-7-14(12-24)8-10-17/h1-11H,13H2,(H2,25,26).
What are the key properties of N'-(4-cyanophenyl)-3-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide?
N'-(4-cyanophenyl)-3-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide has a molecular weight of 363.37 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-cyanophenyl)-3-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 90241589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).