2-amino-3-(4-cyano-3-fluorophenoxy)benzamide

C14H10FN3O2 — CID 115547365

IUPAC2-amino-3-(4-cyano-3-fluorophenoxy)benzamide
SMILESN#Cc1ccc(Oc2cccc(C(N)=O)c2N)cc1F
InChIInChI=1S/C14H10FN3O2/c15-11-6-9(5-4-8(11)7-16)20-12-3-1-2-10(13(12)17)14(18)19/h1-6H,17H2,(H2,18,19)
InChIKeyVZFCWGPCHLFFCB-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.17
Rot. Bonds3

About 2-amino-3-(4-cyano-3-fluorophenoxy)benzamide

2-amino-3-(4-cyano-3-fluorophenoxy)benzamide (PubChem CID 115547365) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is 2-amino-3-(4-cyano-3-fluorophenoxy)benzamide.

Molecular Properties

Compound Name2-amino-3-(4-cyano-3-fluorophenoxy)benzamide
PubChem CID115547365
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Name2-amino-3-(4-cyano-3-fluorophenoxy)benzamide
SMILESN#Cc1ccc(Oc2cccc(C(N)=O)c2N)cc1F
InChIInChI=1S/C14H10FN3O2/c15-11-6-9(5-4-8(11)7-16)20-12-3-1-2-10(13(12)17)14(18)19/h1-6H,17H2,(H2,18,19)
InChIKeyVZFCWGPCHLFFCB-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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Related Compounds

methyl 2-amino-3-(4-cyano-3-fluorophenoxy)benzoate
CID 115547363
2-amino-3-(3,4-difluorophenoxy)benzamide
CID 113333318
3-amino-2-(4-cyano-3-fluorophenoxy)benzamide
CID 115935849
2-amino-3-(3-cyanophenoxy)benzamide
CID 113333275
4-(2-amino-3-methylphenoxy)-2-fluorobenzonitrile
CID 114041417
2-amino-3-(4-cyanophenoxy)benzamide
CID 115546962
2-amino-3-(3,4-dimethylphenoxy)benzamide
CID 115546944
2-(4-cyano-3-fluorophenoxy)-6-fluorobenzonitrile
CID 78952780
4-(2-amino-3-cyanophenoxy)benzamide
CID 104717169
4-(4-amino-3-cyanophenoxy)-2-fluorobenzamide
CID 115499856
2-amino-3-(3-bromo-5-fluorophenoxy)benzamide
CID 113333380
2-amino-3-(5-bromo-2,3-difluorophenoxy)benzamide
CID 107100826

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-cyano-3-fluorophenoxy)benzamide?
The IUPAC name of 2-amino-3-(4-cyano-3-fluorophenoxy)benzamide (CID 115547365) is 2-amino-3-(4-cyano-3-fluorophenoxy)benzamide.
What is the SMILES notation for 2-amino-3-(4-cyano-3-fluorophenoxy)benzamide?
The canonical SMILES for 2-amino-3-(4-cyano-3-fluorophenoxy)benzamide is N#Cc1ccc(Oc2cccc(C(N)=O)c2N)cc1F.
What is the InChIKey of 2-amino-3-(4-cyano-3-fluorophenoxy)benzamide?
The InChIKey is VZFCWGPCHLFFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c15-11-6-9(5-4-8(11)7-16)20-12-3-1-2-10(13(12)17)14(18)19/h1-6H,17H2,(H2,18,19).
What are the key properties of 2-amino-3-(4-cyano-3-fluorophenoxy)benzamide?
2-amino-3-(4-cyano-3-fluorophenoxy)benzamide 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-amino-3-(4-cyano-3-fluorophenoxy)benzamide is sourced from PubChem (CID 115547365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).