2-amino-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide

C10H9FN4O2 — CID 106397156

IUPAC2-amino-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
SMILESNc1c(F)cccc1C(=O)NCc1ncon1
InChIInChI=1S/C10H9FN4O2/c11-7-3-1-2-6(9(7)12)10(16)13-4-8-14-5-17-15-8/h1-3,5H,4,12H2,(H,13,16)
InChIKeyIDDBJFQFXFWLCK-UHFFFAOYSA-N
MW236.21 g/mol
LogP0.72
Rot. Bonds3

About 2-amino-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide

2-amino-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide (PubChem CID 106397156) has the molecular formula C10H9FN4O2 and a molecular weight of 236.21 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
PubChem CID106397156
Molecular FormulaC10H9FN4O2
Molecular Weight236.21 g/mol
Exact Mass236.07
IUPAC Name2-amino-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
SMILESNc1c(F)cccc1C(=O)NCc1ncon1
InChIInChI=1S/C10H9FN4O2/c11-7-3-1-2-6(9(7)12)10(16)13-4-8-14-5-17-15-8/h1-3,5H,4,12H2,(H,13,16)
InChIKeyIDDBJFQFXFWLCK-UHFFFAOYSA-N
XLogP0.72
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 50.72
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

2-amino-3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106391343
2,3-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 114183968
2-amino-3-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 114183521
2-amino-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide
CID 114185135
N-(1,2,4-oxadiazol-3-ylmethyl)-2-sulfanylbenzamide
CID 106410065
3-fluoro-1-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine
CID 106393336
2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-carboxamide
CID 106396006
N-(1,2,4-oxadiazol-3-ylmethyl)-1H-indole-7-carboxamide
CID 106406322
3-(methylamino)-2-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106408432
2-amino-3-(1,2,4-oxadiazol-3-ylmethylamino)benzamide
CID 106407353
5-(3-aminoprop-1-ynyl)-2-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106406855
N-(1,2,4-oxadiazol-3-ylmethyl)-2-(propylamino)benzamide
CID 106402474

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide?
The IUPAC name of 2-amino-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide (CID 106397156) is 2-amino-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide.
What is the SMILES notation for 2-amino-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide?
The canonical SMILES for 2-amino-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide is Nc1c(F)cccc1C(=O)NCc1ncon1.
What is the InChIKey of 2-amino-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide?
The InChIKey is IDDBJFQFXFWLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O2/c11-7-3-1-2-6(9(7)12)10(16)13-4-8-14-5-17-15-8/h1-3,5H,4,12H2,(H,13,16).
What are the key properties of 2-amino-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide?
2-amino-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide has a molecular weight of 236.21 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide is sourced from PubChem (CID 106397156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).