N'-[(4-cyanophenyl)methoxy]-4-fluorobenzenecarboximidamide

C15H12FN3O — CID 47118190

IUPACN'-[(4-cyanophenyl)methoxy]-4-fluorobenzenecarboximidamide
SMILESN#Cc1ccc(CO/N=C(\N)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H12FN3O/c16-14-7-5-13(6-8-14)15(18)19-20-10-12-3-1-11(9-17)2-4-12/h1-8H,10H2,(H2,18,19)
InChIKeyCVGCYTWRPYDVBM-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.53
Rot. Bonds4

About N'-[(4-cyanophenyl)methoxy]-4-fluorobenzenecarboximidamide

N'-[(4-cyanophenyl)methoxy]-4-fluorobenzenecarboximidamide (PubChem CID 47118190) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is N'-[(4-cyanophenyl)methoxy]-4-fluorobenzenecarboximidamide.

Molecular Properties

Compound NameN'-[(4-cyanophenyl)methoxy]-4-fluorobenzenecarboximidamide
PubChem CID47118190
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC NameN'-[(4-cyanophenyl)methoxy]-4-fluorobenzenecarboximidamide
SMILESN#Cc1ccc(CO/N=C(\N)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H12FN3O/c16-14-7-5-13(6-8-14)15(18)19-20-10-12-3-1-11(9-17)2-4-12/h1-8H,10H2,(H2,18,19)
InChIKeyCVGCYTWRPYDVBM-UHFFFAOYSA-N
XLogP2.53
TPSA71.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.53
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(4-cyanophenyl)methoxy]-4-fluorobenzenecarboximidamide?
The IUPAC name of N'-[(4-cyanophenyl)methoxy]-4-fluorobenzenecarboximidamide (CID 47118190) is N'-[(4-cyanophenyl)methoxy]-4-fluorobenzenecarboximidamide.
What is the SMILES notation for N'-[(4-cyanophenyl)methoxy]-4-fluorobenzenecarboximidamide?
The canonical SMILES for N'-[(4-cyanophenyl)methoxy]-4-fluorobenzenecarboximidamide is N#Cc1ccc(CO/N=C(\N)c2ccc(F)cc2)cc1.
What is the InChIKey of N'-[(4-cyanophenyl)methoxy]-4-fluorobenzenecarboximidamide?
The InChIKey is CVGCYTWRPYDVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c16-14-7-5-13(6-8-14)15(18)19-20-10-12-3-1-11(9-17)2-4-12/h1-8H,10H2,(H2,18,19).
What are the key properties of N'-[(4-cyanophenyl)methoxy]-4-fluorobenzenecarboximidamide?
N'-[(4-cyanophenyl)methoxy]-4-fluorobenzenecarboximidamide has a molecular weight of 269.28 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-cyanophenyl)methoxy]-4-fluorobenzenecarboximidamide is sourced from PubChem (CID 47118190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).