4-amino-2-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide

C11H11FN4O2 — CID 114182826

IUPAC4-amino-2-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
SMILESNc1ccc(C(=O)NCCc2ncon2)c(F)c1
InChIInChI=1S/C11H11FN4O2/c12-9-5-7(13)1-2-8(9)11(17)14-4-3-10-15-6-18-16-10/h1-2,5-6H,3-4,13H2,(H,14,17)
InChIKeyMLXVNGXJRJBMNK-UHFFFAOYSA-N
MW250.23 g/mol
LogP0.76
Rot. Bonds4

About 4-amino-2-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide

4-amino-2-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide (PubChem CID 114182826) has the molecular formula C11H11FN4O2 and a molecular weight of 250.23 g/mol. Its IUPAC name is 4-amino-2-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-amino-2-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
PubChem CID114182826
Molecular FormulaC11H11FN4O2
Molecular Weight250.23 g/mol
Exact Mass250.09
IUPAC Name4-amino-2-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
SMILESNc1ccc(C(=O)NCCc2ncon2)c(F)c1
InChIInChI=1S/C11H11FN4O2/c12-9-5-7(13)1-2-8(9)11(17)14-4-3-10-15-6-18-16-10/h1-2,5-6H,3-4,13H2,(H,14,17)
InChIKeyMLXVNGXJRJBMNK-UHFFFAOYSA-N
XLogP0.76
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 114182827
4-amino-N-ethyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzamide
CID 106394006
4-chloro-2-hydroxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 113346470
2-(3-aminoprop-1-ynyl)-4-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106406938
2-hydrazinyl-4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106409422
2-bromo-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 103773544
3-amino-2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106391680
5-amino-2-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106392465
2-(3-aminoprop-1-ynyl)-5-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106406953
3-amino-5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 114182830
2-(ethylamino)-4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106409041
4-amino-2-fluoro-N-(3-methylsulfanylpropyl)benzamide
CID 63980672

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide?
The IUPAC name of 4-amino-2-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide (CID 114182826) is 4-amino-2-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-amino-2-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide?
The canonical SMILES for 4-amino-2-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide is Nc1ccc(C(=O)NCCc2ncon2)c(F)c1.
What is the InChIKey of 4-amino-2-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide?
The InChIKey is MLXVNGXJRJBMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2/c12-9-5-7(13)1-2-8(9)11(17)14-4-3-10-15-6-18-16-10/h1-2,5-6H,3-4,13H2,(H,14,17).
What are the key properties of 4-amino-2-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide?
4-amino-2-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide has a molecular weight of 250.23 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 114182826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).