3-(3-carbamoylphenyl)-5-nitrofuran-2-carboxamide

C12H9N3O5 — CID 175348990

IUPAC3-(3-carbamoylphenyl)-5-nitrofuran-2-carboxamide
SMILESNC(=O)c1cccc(-c2cc([N+](=O)[O-])oc2C(N)=O)c1
InChIInChI=1S/C12H9N3O5/c13-11(16)7-3-1-2-6(4-7)8-5-9(15(18)19)20-10(8)12(14)17/h1-5H,(H2,13,16)(H2,14,17)
InChIKeyWPDAHRYSJSOMQD-UHFFFAOYSA-N
MW275.22 g/mol
LogP1.05
Rot. Bonds4

About 3-(3-carbamoylphenyl)-5-nitrofuran-2-carboxamide

3-(3-carbamoylphenyl)-5-nitrofuran-2-carboxamide (PubChem CID 175348990) has the molecular formula C12H9N3O5 and a molecular weight of 275.22 g/mol. Its IUPAC name is 3-(3-carbamoylphenyl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound Name3-(3-carbamoylphenyl)-5-nitrofuran-2-carboxamide
PubChem CID175348990
Molecular FormulaC12H9N3O5
Molecular Weight275.22 g/mol
Exact Mass275.05
IUPAC Name3-(3-carbamoylphenyl)-5-nitrofuran-2-carboxamide
SMILESNC(=O)c1cccc(-c2cc([N+](=O)[O-])oc2C(N)=O)c1
InChIInChI=1S/C12H9N3O5/c13-11(16)7-3-1-2-6(4-7)8-5-9(15(18)19)20-10(8)12(14)17/h1-5H,(H2,13,16)(H2,14,17)
InChIKeyWPDAHRYSJSOMQD-UHFFFAOYSA-N
XLogP1.05
TPSA142.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 51.05
H-Bond Donors ≤ 52
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-aminophenyl)-5-nitrofuran-2-carboxamide
CID 175705176
3-(4-acetylphenyl)-5-nitrofuran-2-carboxamide
CID 175705173
5-nitro-3-pyridazin-3-ylfuran-2-carboxamide
CID 175705174
5-nitro-3-pyrazin-2-ylfuran-2-carboxamide
CID 175705195
3-[4-(4-ethylpiperazin-1-yl)phenyl]-5-nitrofuran-2-carboxamide
CID 175082446
3-[[(5-nitrofuran-2-yl)methylamino]methyl]benzamide
CID 43778796
3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 174723007
4-(3-carbamoylphenyl)benzoate
CID 86307207
3-phenylfuran-2,5-dicarboxamide
CID 57217041
3-phenylbenzamide;phosphoric acid
CID 130454344
3-(2-methyl-3-pyridinyl)benzamide
CID 90167933
4-methyl-2-(3-nitrophenyl)-1,3-oxazole;3-nitrobenzamide
CID 158350856

Frequently Asked Questions

What is the IUPAC name of 3-(3-carbamoylphenyl)-5-nitrofuran-2-carboxamide?
The IUPAC name of 3-(3-carbamoylphenyl)-5-nitrofuran-2-carboxamide (CID 175348990) is 3-(3-carbamoylphenyl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for 3-(3-carbamoylphenyl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for 3-(3-carbamoylphenyl)-5-nitrofuran-2-carboxamide is NC(=O)c1cccc(-c2cc([N+](=O)[O-])oc2C(N)=O)c1.
What is the InChIKey of 3-(3-carbamoylphenyl)-5-nitrofuran-2-carboxamide?
The InChIKey is WPDAHRYSJSOMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O5/c13-11(16)7-3-1-2-6(4-7)8-5-9(15(18)19)20-10(8)12(14)17/h1-5H,(H2,13,16)(H2,14,17).
What are the key properties of 3-(3-carbamoylphenyl)-5-nitrofuran-2-carboxamide?
3-(3-carbamoylphenyl)-5-nitrofuran-2-carboxamide has a molecular weight of 275.22 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-carbamoylphenyl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 175348990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).