2-(2-amino-4-cyanophenoxy)-6-fluorobenzamide

C14H10FN3O2 — CID 43609531

IUPAC2-(2-amino-4-cyanophenoxy)-6-fluorobenzamide
SMILESN#Cc1ccc(Oc2cccc(F)c2C(N)=O)c(N)c1
InChIInChI=1S/C14H10FN3O2/c15-9-2-1-3-12(13(9)14(18)19)20-11-5-4-8(7-16)6-10(11)17/h1-6H,17H2,(H2,18,19)
InChIKeyMTGFPJUCXIFYNU-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.17
Rot. Bonds3

About 2-(2-amino-4-cyanophenoxy)-6-fluorobenzamide

2-(2-amino-4-cyanophenoxy)-6-fluorobenzamide (PubChem CID 43609531) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is 2-(2-amino-4-cyanophenoxy)-6-fluorobenzamide.

Molecular Properties

Compound Name2-(2-amino-4-cyanophenoxy)-6-fluorobenzamide
PubChem CID43609531
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Name2-(2-amino-4-cyanophenoxy)-6-fluorobenzamide
SMILESN#Cc1ccc(Oc2cccc(F)c2C(N)=O)c(N)c1
InChIInChI=1S/C14H10FN3O2/c15-9-2-1-3-12(13(9)14(18)19)20-11-5-4-8(7-16)6-10(11)17/h1-6H,17H2,(H2,18,19)
InChIKeyMTGFPJUCXIFYNU-UHFFFAOYSA-N
XLogP2.17
TPSA102.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-cyanophenoxy)-6-fluorobenzamide?
The IUPAC name of 2-(2-amino-4-cyanophenoxy)-6-fluorobenzamide (CID 43609531) is 2-(2-amino-4-cyanophenoxy)-6-fluorobenzamide.
What is the SMILES notation for 2-(2-amino-4-cyanophenoxy)-6-fluorobenzamide?
The canonical SMILES for 2-(2-amino-4-cyanophenoxy)-6-fluorobenzamide is N#Cc1ccc(Oc2cccc(F)c2C(N)=O)c(N)c1.
What is the InChIKey of 2-(2-amino-4-cyanophenoxy)-6-fluorobenzamide?
The InChIKey is MTGFPJUCXIFYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c15-9-2-1-3-12(13(9)14(18)19)20-11-5-4-8(7-16)6-10(11)17/h1-6H,17H2,(H2,18,19).
What are the key properties of 2-(2-amino-4-cyanophenoxy)-6-fluorobenzamide?
2-(2-amino-4-cyanophenoxy)-6-fluorobenzamide has a molecular weight of 271.25 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-cyanophenoxy)-6-fluorobenzamide is sourced from PubChem (CID 43609531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).