N-(4-chloro-2-iodophenyl)-5-nitrofuran-2-carboxamide

C11H6ClIN2O4 — CID 113257818

IUPACN-(4-chloro-2-iodophenyl)-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1I)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H6ClIN2O4/c12-6-1-2-8(7(13)5-6)14-11(16)9-3-4-10(19-9)15(17)18/h1-5H,(H,14,16)
InChIKeyOLAOHPGVWKAWRU-UHFFFAOYSA-N
MW392.54 g/mol
LogP3.70
Rot. Bonds3

About N-(4-chloro-2-iodophenyl)-5-nitrofuran-2-carboxamide

N-(4-chloro-2-iodophenyl)-5-nitrofuran-2-carboxamide (PubChem CID 113257818) has the molecular formula C11H6ClIN2O4 and a molecular weight of 392.54 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)-5-nitrofuran-2-carboxamide
PubChem CID113257818
Molecular FormulaC11H6ClIN2O4
Molecular Weight392.54 g/mol
Exact Mass391.91
IUPAC NameN-(4-chloro-2-iodophenyl)-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1I)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H6ClIN2O4/c12-6-1-2-8(7(13)5-6)14-11(16)9-3-4-10(19-9)15(17)18/h1-5H,(H,14,16)
InChIKeyOLAOHPGVWKAWRU-UHFFFAOYSA-N
XLogP3.70
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4-chlorophenyl)-5-nitrofuran-2-carboxamide
CID 81028624
N-(2-iodophenyl)-5-nitrofuran-2-carboxamide
CID 3269060
5-bromo-N-(4-chloro-2-iodophenyl)furan-2-carboxamide
CID 103766854
N-(5-amino-2-fluorophenyl)-5-nitrofuran-2-carboxamide
CID 43600127
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-5-nitrofuran-2-carboxamide
CID 78772512
N-(3-bromo-4-iodophenyl)-5-nitrofuran-2-carboxamide
CID 113230544
N-[(4-chlorophenyl)methyl]-5-nitrofuran-2-carboxamide
CID 17146050
N-[4-[(3-chlorobenzoyl)amino]phenyl]-5-nitrofuran-2-carboxamide
CID 3117355
N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]-5-nitrofuran-2-carboxamide
CID 19630916
N-(3,4-difluorophenyl)-5-nitrofuran-2-carboxamide
CID 5153997
N-(2-bromo-3-chlorophenyl)-5-nitrofuran-2-carboxamide
CID 103479831
N-(4-chloro-2-iodophenyl)-2-fluoro-5-nitrobenzamide
CID 103766905

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(4-chloro-2-iodophenyl)-5-nitrofuran-2-carboxamide (CID 113257818) is N-(4-chloro-2-iodophenyl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-iodophenyl)-5-nitrofuran-2-carboxamide is O=C(Nc1ccc(Cl)cc1I)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-(4-chloro-2-iodophenyl)-5-nitrofuran-2-carboxamide?
The InChIKey is OLAOHPGVWKAWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClIN2O4/c12-6-1-2-8(7(13)5-6)14-11(16)9-3-4-10(19-9)15(17)18/h1-5H,(H,14,16).
What are the key properties of N-(4-chloro-2-iodophenyl)-5-nitrofuran-2-carboxamide?
N-(4-chloro-2-iodophenyl)-5-nitrofuran-2-carboxamide has a molecular weight of 392.54 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-iodophenyl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 113257818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).