4-(4-amino-3-cyanophenoxy)-2-fluorobenzamide

C14H10FN3O2 — CID 115499856

IUPAC4-(4-amino-3-cyanophenoxy)-2-fluorobenzamide
SMILESN#Cc1cc(Oc2ccc(C(N)=O)c(F)c2)ccc1N
InChIInChI=1S/C14H10FN3O2/c15-12-6-10(1-3-11(12)14(18)19)20-9-2-4-13(17)8(5-9)7-16/h1-6H,17H2,(H2,18,19)
InChIKeyYTDHOGJTOWDEPL-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.17
Rot. Bonds3

About 4-(4-amino-3-cyanophenoxy)-2-fluorobenzamide

4-(4-amino-3-cyanophenoxy)-2-fluorobenzamide (PubChem CID 115499856) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is 4-(4-amino-3-cyanophenoxy)-2-fluorobenzamide.

Molecular Properties

Compound Name4-(4-amino-3-cyanophenoxy)-2-fluorobenzamide
PubChem CID115499856
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Name4-(4-amino-3-cyanophenoxy)-2-fluorobenzamide
SMILESN#Cc1cc(Oc2ccc(C(N)=O)c(F)c2)ccc1N
InChIInChI=1S/C14H10FN3O2/c15-12-6-10(1-3-11(12)14(18)19)20-9-2-4-13(17)8(5-9)7-16/h1-6H,17H2,(H2,18,19)
InChIKeyYTDHOGJTOWDEPL-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

4-[(5-amino-6-cyano-2-pyridinyl)oxy]-2-fluorobenzamide
CID 103469765
3-amino-2-(4-cyano-3-fluorophenoxy)benzamide
CID 115935849
2-amino-3-(4-cyano-3-fluorophenoxy)benzamide
CID 115547365
2-amino-5-(2-fluorophenoxy)benzonitrile
CID 115499740
4-(4-amino-3-fluorophenoxy)-2-methylbenzonitrile
CID 81278641
2-cyano-4-propan-2-yloxybenzamide
CID 67277993
4-(5-bromo-2-cyanophenoxy)-2-fluorobenzoic acid
CID 107677496
2-amino-5-(3-methylsulfonylphenoxy)benzonitrile
CID 115499811
2-amino-5-(2,5-dichlorophenoxy)benzonitrile
CID 115499728
(2R)-2-(4-carbamoyl-3-fluorophenoxy)propanoic acid
CID 103338112
2-amino-5-(3-methyl-4-propan-2-ylphenoxy)benzonitrile
CID 115499738
2-amino-5-(3-ethylphenoxy)benzonitrile
CID 113324087

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-cyanophenoxy)-2-fluorobenzamide?
The IUPAC name of 4-(4-amino-3-cyanophenoxy)-2-fluorobenzamide (CID 115499856) is 4-(4-amino-3-cyanophenoxy)-2-fluorobenzamide.
What is the SMILES notation for 4-(4-amino-3-cyanophenoxy)-2-fluorobenzamide?
The canonical SMILES for 4-(4-amino-3-cyanophenoxy)-2-fluorobenzamide is N#Cc1cc(Oc2ccc(C(N)=O)c(F)c2)ccc1N.
What is the InChIKey of 4-(4-amino-3-cyanophenoxy)-2-fluorobenzamide?
The InChIKey is YTDHOGJTOWDEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c15-12-6-10(1-3-11(12)14(18)19)20-9-2-4-13(17)8(5-9)7-16/h1-6H,17H2,(H2,18,19).
What are the key properties of 4-(4-amino-3-cyanophenoxy)-2-fluorobenzamide?
4-(4-amino-3-cyanophenoxy)-2-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 4-(4-amino-3-cyanophenoxy)-2-fluorobenzamide is sourced from PubChem (CID 115499856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).