N-[2-(4-fluorophenyl)propan-2-yl]-5-nitrofuran-2-carboxamide

C14H13FN2O4 — CID 155533804

IUPACN-[2-(4-fluorophenyl)propan-2-yl]-5-nitrofuran-2-carboxamide
SMILESCC(C)(NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O4/c1-14(2,9-3-5-10(15)6-4-9)16-13(18)11-7-8-12(21-11)17(19)20/h3-8H,1-2H3,(H,16,18)
InChIKeyIXQFYSOQGIEFCR-UHFFFAOYSA-N
MW292.27 g/mol
LogP2.99
Rot. Bonds4

About N-[2-(4-fluorophenyl)propan-2-yl]-5-nitrofuran-2-carboxamide

N-[2-(4-fluorophenyl)propan-2-yl]-5-nitrofuran-2-carboxamide (PubChem CID 155533804) has the molecular formula C14H13FN2O4 and a molecular weight of 292.27 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)propan-2-yl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)propan-2-yl]-5-nitrofuran-2-carboxamide
PubChem CID155533804
Molecular FormulaC14H13FN2O4
Molecular Weight292.27 g/mol
Exact Mass292.09
IUPAC NameN-[2-(4-fluorophenyl)propan-2-yl]-5-nitrofuran-2-carboxamide
SMILESCC(C)(NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O4/c1-14(2,9-3-5-10(15)6-4-9)16-13(18)11-7-8-12(21-11)17(19)20/h3-8H,1-2H3,(H,16,18)
InChIKeyIXQFYSOQGIEFCR-UHFFFAOYSA-N
XLogP2.99
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 52.99
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-[2-(4-fluorophenyl)propan-2-yl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)propan-2-yl]-5-nitrofuran-2-carboxamide (CID 155533804) is N-[2-(4-fluorophenyl)propan-2-yl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)propan-2-yl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)propan-2-yl]-5-nitrofuran-2-carboxamide is CC(C)(NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)propan-2-yl]-5-nitrofuran-2-carboxamide?
The InChIKey is IXQFYSOQGIEFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O4/c1-14(2,9-3-5-10(15)6-4-9)16-13(18)11-7-8-12(21-11)17(19)20/h3-8H,1-2H3,(H,16,18).
What are the key properties of N-[2-(4-fluorophenyl)propan-2-yl]-5-nitrofuran-2-carboxamide?
N-[2-(4-fluorophenyl)propan-2-yl]-5-nitrofuran-2-carboxamide has a molecular weight of 292.27 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)propan-2-yl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 155533804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).