N-(3-chloro-4-fluorophenyl)-5-nitrooxolane-2-carboxamide

C11H10ClFN2O4 — CID 126526500

IUPACN-(3-chloro-4-fluorophenyl)-5-nitrooxolane-2-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)C1CCC([N+](=O)[O-])O1
InChIInChI=1S/C11H10ClFN2O4/c12-7-5-6(1-2-8(7)13)14-11(16)9-3-4-10(19-9)15(17)18/h1-2,5,9-10H,3-4H2,(H,14,16)
InChIKeySGZBUKMGPSRAGT-UHFFFAOYSA-N
MW288.66 g/mol
LogP2.20
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-5-nitrooxolane-2-carboxamide

N-(3-chloro-4-fluorophenyl)-5-nitrooxolane-2-carboxamide (PubChem CID 126526500) has the molecular formula C11H10ClFN2O4 and a molecular weight of 288.66 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-5-nitrooxolane-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-5-nitrooxolane-2-carboxamide
PubChem CID126526500
Molecular FormulaC11H10ClFN2O4
Molecular Weight288.66 g/mol
Exact Mass288.03
IUPAC NameN-(3-chloro-4-fluorophenyl)-5-nitrooxolane-2-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)C1CCC([N+](=O)[O-])O1
InChIInChI=1S/C11H10ClFN2O4/c12-7-5-6(1-2-8(7)13)14-11(16)9-3-4-10(19-9)15(17)18/h1-2,5,9-10H,3-4H2,(H,14,16)
InChIKeySGZBUKMGPSRAGT-UHFFFAOYSA-N
XLogP2.20
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.66
LogP ≤ 52.20
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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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-5-nitrooxolane-2-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-5-nitrooxolane-2-carboxamide (CID 126526500) is N-(3-chloro-4-fluorophenyl)-5-nitrooxolane-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-5-nitrooxolane-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-5-nitrooxolane-2-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)C1CCC([N+](=O)[O-])O1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-5-nitrooxolane-2-carboxamide?
The InChIKey is SGZBUKMGPSRAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O4/c12-7-5-6(1-2-8(7)13)14-11(16)9-3-4-10(19-9)15(17)18/h1-2,5,9-10H,3-4H2,(H,14,16).
What are the key properties of N-(3-chloro-4-fluorophenyl)-5-nitrooxolane-2-carboxamide?
N-(3-chloro-4-fluorophenyl)-5-nitrooxolane-2-carboxamide has a molecular weight of 288.66 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-5-nitrooxolane-2-carboxamide is sourced from PubChem (CID 126526500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).