2-fluoro-3-methyl-5-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide

C11H9FN4O4 — CID 106396090

IUPAC2-fluoro-3-methyl-5-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
SMILESCc1cc([N+](=O)[O-])cc(C(=O)NCc2ncon2)c1F
InChIInChI=1S/C11H9FN4O4/c1-6-2-7(16(18)19)3-8(10(6)12)11(17)13-4-9-14-5-20-15-9/h2-3,5H,4H2,1H3,(H,13,17)
InChIKeyZCADQMBGUNXSNL-UHFFFAOYSA-N
MW280.21 g/mol
LogP1.36
Rot. Bonds4

About 2-fluoro-3-methyl-5-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide

2-fluoro-3-methyl-5-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide (PubChem CID 106396090) has the molecular formula C11H9FN4O4 and a molecular weight of 280.21 g/mol. Its IUPAC name is 2-fluoro-3-methyl-5-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-5-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
PubChem CID106396090
Molecular FormulaC11H9FN4O4
Molecular Weight280.21 g/mol
Exact Mass280.06
IUPAC Name2-fluoro-3-methyl-5-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
SMILESCc1cc([N+](=O)[O-])cc(C(=O)NCc2ncon2)c1F
InChIInChI=1S/C11H9FN4O4/c1-6-2-7(16(18)19)3-8(10(6)12)11(17)13-4-9-14-5-20-15-9/h2-3,5H,4H2,1H3,(H,13,17)
InChIKeyZCADQMBGUNXSNL-UHFFFAOYSA-N
XLogP1.36
TPSA111.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitrobenzamide
CID 103297316
2-fluoro-3-methyl-5-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 103297192
N-(2-aminoethyl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297273
2-fluoro-3-methyl-5-nitro-N-prop-2-ynylbenzamide
CID 103297090
2-fluoro-N-[(2S)-2-hydroxypropyl]-3-methyl-5-nitrobenzamide
CID 103297676
2-fluoro-3-methyl-N-(3-methylbutyl)-5-nitrobenzamide
CID 103297088
N-(2-cyanoethyl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297255
2-fluoro-N-(4-methoxybutyl)-3-methyl-5-nitrobenzamide
CID 103297310
2-fluoro-3-methyl-5-nitro-N-(2,3,3-trimethylbutyl)benzamide
CID 103297521
5-bromo-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106399961
N-(2-cyano-2-methylpropyl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297598
3-(methylamino)-2-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106408432

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-5-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide?
The IUPAC name of 2-fluoro-3-methyl-5-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide (CID 106396090) is 2-fluoro-3-methyl-5-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide.
What is the SMILES notation for 2-fluoro-3-methyl-5-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide?
The canonical SMILES for 2-fluoro-3-methyl-5-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide is Cc1cc([N+](=O)[O-])cc(C(=O)NCc2ncon2)c1F.
What is the InChIKey of 2-fluoro-3-methyl-5-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide?
The InChIKey is ZCADQMBGUNXSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O4/c1-6-2-7(16(18)19)3-8(10(6)12)11(17)13-4-9-14-5-20-15-9/h2-3,5H,4H2,1H3,(H,13,17).
What are the key properties of 2-fluoro-3-methyl-5-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide?
2-fluoro-3-methyl-5-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide has a molecular weight of 280.21 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-5-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide is sourced from PubChem (CID 106396090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).