N-(4-chloro-2-fluorophenyl)-N-ethyl-5-nitrofuran-2-carboxamide

C13H10ClFN2O4 — CID 100713099

IUPACN-(4-chloro-2-fluorophenyl)-N-ethyl-5-nitrofuran-2-carboxamide
SMILESCCN(C(=O)c1ccc([N+](=O)[O-])o1)c1ccc(Cl)cc1F
InChIInChI=1S/C13H10ClFN2O4/c1-2-16(10-4-3-8(14)7-9(10)15)13(18)11-5-6-12(21-11)17(19)20/h3-7H,2H2,1H3
InChIKeySAPLKFANGVGVHL-UHFFFAOYSA-N
MW312.68 g/mol
LogP3.65
Rot. Bonds4

About N-(4-chloro-2-fluorophenyl)-N-ethyl-5-nitrofuran-2-carboxamide

N-(4-chloro-2-fluorophenyl)-N-ethyl-5-nitrofuran-2-carboxamide (PubChem CID 100713099) has the molecular formula C13H10ClFN2O4 and a molecular weight of 312.68 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-N-ethyl-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-N-ethyl-5-nitrofuran-2-carboxamide
PubChem CID100713099
Molecular FormulaC13H10ClFN2O4
Molecular Weight312.68 g/mol
Exact Mass312.03
IUPAC NameN-(4-chloro-2-fluorophenyl)-N-ethyl-5-nitrofuran-2-carboxamide
SMILESCCN(C(=O)c1ccc([N+](=O)[O-])o1)c1ccc(Cl)cc1F
InChIInChI=1S/C13H10ClFN2O4/c1-2-16(10-4-3-8(14)7-9(10)15)13(18)11-5-6-12(21-11)17(19)20/h3-7H,2H2,1H3
InChIKeySAPLKFANGVGVHL-UHFFFAOYSA-N
XLogP3.65
TPSA76.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.68
LogP ≤ 53.65
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

N-ethyl-5-nitro-N-phenylfuran-2-carboxamide
CID 773502
N-[(4-chlorophenyl)methyl]-5-nitrofuran-2-carboxamide
CID 17146050
N-ethyl-N-(3-hydroxypropyl)-5-nitrofuran-2-carboxamide
CID 113339443
3-[ethyl-(5-nitrofuran-2-carbonyl)amino]propanoic acid
CID 61006997
[methyl-(5-nitrofuran-2-carbonyl)amino] 5-nitrofuran-2-carboxylate
CID 53323017
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 5-nitrofuran-2-carboxylate
CID 9454791
N-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)-5-nitrofuran-2-carboxamide
CID 99804713
N-(4-hydroxyphenyl)-N-methyl-5-nitrofuran-2-carboxamide
CID 28739301
N'-[2-[N-ethyl-2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]anilino]ethyl]-N-methyl-5-nitrofuran-2-carbohydrazide
CID 70848499
N-(4-chloro-2-iodophenyl)-5-nitrofuran-2-carboxamide
CID 113257818
bis(5-nitrofuran-2-carboxylate);oxygen(2-);vanadium(4+)
CID 71731103
(3R)-N-(4-chloro-2-fluorophenyl)-N-ethyloxane-3-carboxamide
CID 124841562

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-N-ethyl-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-N-ethyl-5-nitrofuran-2-carboxamide (CID 100713099) is N-(4-chloro-2-fluorophenyl)-N-ethyl-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-N-ethyl-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-N-ethyl-5-nitrofuran-2-carboxamide is CCN(C(=O)c1ccc([N+](=O)[O-])o1)c1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-N-ethyl-5-nitrofuran-2-carboxamide?
The InChIKey is SAPLKFANGVGVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O4/c1-2-16(10-4-3-8(14)7-9(10)15)13(18)11-5-6-12(21-11)17(19)20/h3-7H,2H2,1H3.
What are the key properties of N-(4-chloro-2-fluorophenyl)-N-ethyl-5-nitrofuran-2-carboxamide?
N-(4-chloro-2-fluorophenyl)-N-ethyl-5-nitrofuran-2-carboxamide has a molecular weight of 312.68 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-N-ethyl-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 100713099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).