N-(2-fluoro-5-nitrophenyl)oxolane-2-carboxamide

C11H11FN2O4 — CID 3283180

IUPACN-(2-fluoro-5-nitrophenyl)oxolane-2-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1F)C1CCCO1
InChIInChI=1S/C11H11FN2O4/c12-8-4-3-7(14(16)17)6-9(8)13-11(15)10-2-1-5-18-10/h3-4,6,10H,1-2,5H2,(H,13,15)
InChIKeyLBQBFSFZOWZSIK-UHFFFAOYSA-N
MW254.22 g/mol
LogP1.85
Rot. Bonds3

About N-(2-fluoro-5-nitrophenyl)oxolane-2-carboxamide

N-(2-fluoro-5-nitrophenyl)oxolane-2-carboxamide (PubChem CID 3283180) has the molecular formula C11H11FN2O4 and a molecular weight of 254.22 g/mol. Its IUPAC name is N-(2-fluoro-5-nitrophenyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-nitrophenyl)oxolane-2-carboxamide
PubChem CID3283180
Molecular FormulaC11H11FN2O4
Molecular Weight254.22 g/mol
Exact Mass254.07
IUPAC NameN-(2-fluoro-5-nitrophenyl)oxolane-2-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1F)C1CCCO1
InChIInChI=1S/C11H11FN2O4/c12-8-4-3-7(14(16)17)6-9(8)13-11(15)10-2-1-5-18-10/h3-4,6,10H,1-2,5H2,(H,13,15)
InChIKeyLBQBFSFZOWZSIK-UHFFFAOYSA-N
XLogP1.85
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.22
LogP ≤ 51.85
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

(2S)-N-(2-chloro-4-nitrophenyl)oxolane-2-carboxamide
CID 7306357
N-(2-fluoro-5-nitrophenyl)cyclopropanecarboxamide
CID 675675
N-(2-hydroxy-4-nitrophenyl)oxane-2-carboxamide
CID 107745486
4-fluoro-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 104855570
N-(5-bromo-2-fluorophenyl)oxolane-2-carboxamide
CID 110779487
3-amino-N-(2-fluoro-5-nitrophenyl)cyclohexane-1-carboxamide
CID 63042162
N-(2-nitrophenyl)oxolane-2-carboxamide
CID 5093204
(2S)-N-[4-nitro-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7409203
N-(2-fluoro-5-nitrophenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 60528238
(2R)-N-(4-chloro-2-cyanophenyl)oxolane-2-carboxamide
CID 126837214
N-(2-fluoro-5-nitrophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890637
(2R)-N-(2,5-dichlorophenyl)oxolane-2-carboxamide
CID 1086830

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-nitrophenyl)oxolane-2-carboxamide?
The IUPAC name of N-(2-fluoro-5-nitrophenyl)oxolane-2-carboxamide (CID 3283180) is N-(2-fluoro-5-nitrophenyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(2-fluoro-5-nitrophenyl)oxolane-2-carboxamide?
The canonical SMILES for N-(2-fluoro-5-nitrophenyl)oxolane-2-carboxamide is O=C(Nc1cc([N+](=O)[O-])ccc1F)C1CCCO1.
What is the InChIKey of N-(2-fluoro-5-nitrophenyl)oxolane-2-carboxamide?
The InChIKey is LBQBFSFZOWZSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O4/c12-8-4-3-7(14(16)17)6-9(8)13-11(15)10-2-1-5-18-10/h3-4,6,10H,1-2,5H2,(H,13,15).
What are the key properties of N-(2-fluoro-5-nitrophenyl)oxolane-2-carboxamide?
N-(2-fluoro-5-nitrophenyl)oxolane-2-carboxamide has a molecular weight of 254.22 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-nitrophenyl)oxolane-2-carboxamide is sourced from PubChem (CID 3283180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).