3-(4-acetylphenyl)-5-nitrofuran-2-carboxamide

C13H10N2O5 — CID 175705173

IUPAC3-(4-acetylphenyl)-5-nitrofuran-2-carboxamide
SMILESCC(=O)c1ccc(-c2cc([N+](=O)[O-])oc2C(N)=O)cc1
InChIInChI=1S/C13H10N2O5/c1-7(16)8-2-4-9(5-3-8)10-6-11(15(18)19)20-12(10)13(14)17/h2-6H,1H3,(H2,14,17)
InChIKeySAKULPXUANLLCV-UHFFFAOYSA-N
MW274.23 g/mol
LogP2.16
Rot. Bonds4

About 3-(4-acetylphenyl)-5-nitrofuran-2-carboxamide

3-(4-acetylphenyl)-5-nitrofuran-2-carboxamide (PubChem CID 175705173) has the molecular formula C13H10N2O5 and a molecular weight of 274.23 g/mol. Its IUPAC name is 3-(4-acetylphenyl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound Name3-(4-acetylphenyl)-5-nitrofuran-2-carboxamide
PubChem CID175705173
Molecular FormulaC13H10N2O5
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Name3-(4-acetylphenyl)-5-nitrofuran-2-carboxamide
SMILESCC(=O)c1ccc(-c2cc([N+](=O)[O-])oc2C(N)=O)cc1
InChIInChI=1S/C13H10N2O5/c1-7(16)8-2-4-9(5-3-8)10-6-11(15(18)19)20-12(10)13(14)17/h2-6H,1H3,(H2,14,17)
InChIKeySAKULPXUANLLCV-UHFFFAOYSA-N
XLogP2.16
TPSA116.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3-carbamoylphenyl)-5-nitrofuran-2-carboxamide
CID 175348990
3-(3-aminophenyl)-5-nitrofuran-2-carboxamide
CID 175705176
3-[4-(4-ethylpiperazin-1-yl)phenyl]-5-nitrofuran-2-carboxamide
CID 175082446
5-nitro-3-pyrazin-2-ylfuran-2-carboxamide
CID 175705195
5-nitro-3-pyridazin-3-ylfuran-2-carboxamide
CID 175705174
1-[4-(2,5-diaminophenyl)phenyl]ethanone
CID 18371663
ethane;1-(4-nitrophenyl)ethanone
CID 172597016
1-(5-nitrofuran-3-yl)ethanone
CID 83815430
1-[4-[2-[4-[2-(4-acetylphenyl)phenyl]phenyl]phenyl]phenyl]ethanone
CID 25259117
1-(4-aminophenyl)ethanone;1-(4-nitrophenyl)ethanone
CID 174531319
3-(4-acetylphenyl)-5-nitrobenzoic acid
CID 53226058
3-phenylfuran-2,5-dicarboxamide
CID 57217041

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylphenyl)-5-nitrofuran-2-carboxamide?
The IUPAC name of 3-(4-acetylphenyl)-5-nitrofuran-2-carboxamide (CID 175705173) is 3-(4-acetylphenyl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for 3-(4-acetylphenyl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for 3-(4-acetylphenyl)-5-nitrofuran-2-carboxamide is CC(=O)c1ccc(-c2cc([N+](=O)[O-])oc2C(N)=O)cc1.
What is the InChIKey of 3-(4-acetylphenyl)-5-nitrofuran-2-carboxamide?
The InChIKey is SAKULPXUANLLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O5/c1-7(16)8-2-4-9(5-3-8)10-6-11(15(18)19)20-12(10)13(14)17/h2-6H,1H3,(H2,14,17).
What are the key properties of 3-(4-acetylphenyl)-5-nitrofuran-2-carboxamide?
3-(4-acetylphenyl)-5-nitrofuran-2-carboxamide has a molecular weight of 274.23 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylphenyl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 175705173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).