N-ethyl-5-nitro-N-phenylfuran-2-carboxamide

C13H12N2O4 — CID 773502

IUPACN-ethyl-5-nitro-N-phenylfuran-2-carboxamide
SMILESCCN(C(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1
InChIInChI=1S/C13H12N2O4/c1-2-14(10-6-4-3-5-7-10)13(16)11-8-9-12(19-11)15(17)18/h3-9H,2H2,1H3
InChIKeyUFQKPHMXBOTOJG-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.85
Rot. Bonds4

About N-ethyl-5-nitro-N-phenylfuran-2-carboxamide

N-ethyl-5-nitro-N-phenylfuran-2-carboxamide (PubChem CID 773502) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is N-ethyl-5-nitro-N-phenylfuran-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-nitro-N-phenylfuran-2-carboxamide
PubChem CID773502
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC NameN-ethyl-5-nitro-N-phenylfuran-2-carboxamide
SMILESCCN(C(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1
InChIInChI=1S/C13H12N2O4/c1-2-14(10-6-4-3-5-7-10)13(16)11-8-9-12(19-11)15(17)18/h3-9H,2H2,1H3
InChIKeyUFQKPHMXBOTOJG-UHFFFAOYSA-N
XLogP2.85
TPSA76.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.85
H-Bond Donors ≤ 50
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

3-[ethyl-(5-nitrofuran-2-carbonyl)amino]propanoic acid
CID 61006997
N-(4-chloro-2-fluorophenyl)-N-ethyl-5-nitrofuran-2-carboxamide
CID 100713099
N-ethyl-N-(3-hydroxypropyl)-5-nitrofuran-2-carboxamide
CID 113339443
N-ethyl-N-phenyl-1,3-oxazole-5-carboxamide
CID 110857869
N-(4-hydroxyphenyl)-N-methyl-5-nitrofuran-2-carboxamide
CID 28739301
N-[(2-bromophenyl)methyl]-N-methyl-5-nitrofuran-2-carboxamide
CID 34867078
ethyl 4-[(5-nitrofuran-2-carbonyl)-(pyridin-4-ylmethyl)amino]benzoate
CID 19630510
5-nitrofuran-2-carboxylic acid;hydrochloride
CID 67281310
N-ethyl-N,5-diphenyl-1,3,4-oxadiazole-2-carboxamide
CID 110390946
N-methyl-5-nitro-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]furan-2-carboxamide
CID 129374578
5-(3-aminophenyl)-N-ethyl-N-phenylfuran-2-carboxamide
CID 91679621
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-5-nitrofuran-2-carboxamide
CID 46450103

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-nitro-N-phenylfuran-2-carboxamide?
The IUPAC name of N-ethyl-5-nitro-N-phenylfuran-2-carboxamide (CID 773502) is N-ethyl-5-nitro-N-phenylfuran-2-carboxamide.
What is the SMILES notation for N-ethyl-5-nitro-N-phenylfuran-2-carboxamide?
The canonical SMILES for N-ethyl-5-nitro-N-phenylfuran-2-carboxamide is CCN(C(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1.
What is the InChIKey of N-ethyl-5-nitro-N-phenylfuran-2-carboxamide?
The InChIKey is UFQKPHMXBOTOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-2-14(10-6-4-3-5-7-10)13(16)11-8-9-12(19-11)15(17)18/h3-9H,2H2,1H3.
What are the key properties of N-ethyl-5-nitro-N-phenylfuran-2-carboxamide?
N-ethyl-5-nitro-N-phenylfuran-2-carboxamide has a molecular weight of 260.25 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-nitro-N-phenylfuran-2-carboxamide is sourced from PubChem (CID 773502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).