2,6-difluoro-3-nitro-N-(oxan-2-ylmethyl)benzamide

C13H14F2N2O4 — CID 103740630

IUPAC2,6-difluoro-3-nitro-N-(oxan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCCO1)c1c(F)ccc([N+](=O)[O-])c1F
InChIInChI=1S/C13H14F2N2O4/c14-9-4-5-10(17(19)20)12(15)11(9)13(18)16-7-8-3-1-2-6-21-8/h4-5,8H,1-3,6-7H2,(H,16,18)
InChIKeySUCFMMBZKMGYOE-UHFFFAOYSA-N
MW300.26 g/mol
LogP2.17
Rot. Bonds4

About 2,6-difluoro-3-nitro-N-(oxan-2-ylmethyl)benzamide

2,6-difluoro-3-nitro-N-(oxan-2-ylmethyl)benzamide (PubChem CID 103740630) has the molecular formula C13H14F2N2O4 and a molecular weight of 300.26 g/mol. Its IUPAC name is 2,6-difluoro-3-nitro-N-(oxan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-nitro-N-(oxan-2-ylmethyl)benzamide
PubChem CID103740630
Molecular FormulaC13H14F2N2O4
Molecular Weight300.26 g/mol
Exact Mass300.09
IUPAC Name2,6-difluoro-3-nitro-N-(oxan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCCO1)c1c(F)ccc([N+](=O)[O-])c1F
InChIInChI=1S/C13H14F2N2O4/c14-9-4-5-10(17(19)20)12(15)11(9)13(18)16-7-8-3-1-2-6-21-8/h4-5,8H,1-3,6-7H2,(H,16,18)
InChIKeySUCFMMBZKMGYOE-UHFFFAOYSA-N
XLogP2.17
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-fluoro-4-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 55103551
2,6-difluoro-N-[(2-methylcyclopropyl)methyl]-3-nitrobenzamide
CID 103740035
4-chloro-2-nitro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 789164
oxolan-2-ylmethyl 2,6-difluoro-3-nitrobenzoate
CID 103741476
5-hydrazinyl-2-nitro-N-(oxan-2-ylmethyl)benzamide
CID 62237352
N-[(3-chlorocyclopentyl)methyl]-2,6-difluoro-3-nitrobenzamide
CID 106127655
2,3-difluoro-6-nitro-N-(oxolan-2-ylmethyl)aniline
CID 62533651
N-[(1-cyclopropylcyclopropyl)methyl]-2,6-difluoro-3-nitrobenzamide
CID 103839394
2,6-difluoro-3-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 103740573
2,6-difluoro-3-nitro-N-(oxolan-3-yl)benzamide
CID 113322130
N-(2-bromoethyl)-2,6-difluoro-3-nitrobenzamide
CID 79772843
2,6-difluoro-3-nitro-N-(oxan-3-yl)benzamide
CID 103740066

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-nitro-N-(oxan-2-ylmethyl)benzamide?
The IUPAC name of 2,6-difluoro-3-nitro-N-(oxan-2-ylmethyl)benzamide (CID 103740630) is 2,6-difluoro-3-nitro-N-(oxan-2-ylmethyl)benzamide.
What is the SMILES notation for 2,6-difluoro-3-nitro-N-(oxan-2-ylmethyl)benzamide?
The canonical SMILES for 2,6-difluoro-3-nitro-N-(oxan-2-ylmethyl)benzamide is O=C(NCC1CCCCO1)c1c(F)ccc([N+](=O)[O-])c1F.
What is the InChIKey of 2,6-difluoro-3-nitro-N-(oxan-2-ylmethyl)benzamide?
The InChIKey is SUCFMMBZKMGYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O4/c14-9-4-5-10(17(19)20)12(15)11(9)13(18)16-7-8-3-1-2-6-21-8/h4-5,8H,1-3,6-7H2,(H,16,18).
What are the key properties of 2,6-difluoro-3-nitro-N-(oxan-2-ylmethyl)benzamide?
2,6-difluoro-3-nitro-N-(oxan-2-ylmethyl)benzamide has a molecular weight of 300.26 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-nitro-N-(oxan-2-ylmethyl)benzamide is sourced from PubChem (CID 103740630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).