5-iodo-N-(3-nitrophenyl)furan-2-carboxamide

C11H7IN2O4 — CID 71370973

IUPAC5-iodo-N-(3-nitrophenyl)furan-2-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(I)o1
InChIInChI=1S/C11H7IN2O4/c12-10-5-4-9(18-10)11(15)13-7-2-1-3-8(6-7)14(16)17/h1-6H,(H,13,15)
InChIKeyVVJDOYCBHOIFPR-UHFFFAOYSA-N
MW358.09 g/mol
LogP3.04
Rot. Bonds3

About 5-iodo-N-(3-nitrophenyl)furan-2-carboxamide

5-iodo-N-(3-nitrophenyl)furan-2-carboxamide (PubChem CID 71370973) has the molecular formula C11H7IN2O4 and a molecular weight of 358.09 g/mol. Its IUPAC name is 5-iodo-N-(3-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-iodo-N-(3-nitrophenyl)furan-2-carboxamide
PubChem CID71370973
Molecular FormulaC11H7IN2O4
Molecular Weight358.09 g/mol
Exact Mass357.95
IUPAC Name5-iodo-N-(3-nitrophenyl)furan-2-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(I)o1
InChIInChI=1S/C11H7IN2O4/c12-10-5-4-9(18-10)11(15)13-7-2-1-3-8(6-7)14(16)17/h1-6H,(H,13,15)
InChIKeyVVJDOYCBHOIFPR-UHFFFAOYSA-N
XLogP3.04
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.09
LogP ≤ 53.04
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

5-(2-chlorophenyl)-N-(3-nitrophenyl)furan-2-carboxamide
CID 945636
2-iodo-5-nitro-N-(3-nitrophenyl)benzamide
CID 38925983
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
N-(3-anilinophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 90448753
N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 28670712
5-(4-nitrophenyl)-N-[(3-nitrophenyl)carbamothioyl]furan-2-carboxamide
CID 3567710
2-iodo-N-(3-nitrophenyl)acetamide
CID 12611682
5-hydroxy-1-N,3-N-bis(3-nitrophenyl)benzene-1,3-dicarboxamide
CID 15745029
4-hydroxy-N-(3-nitrophenyl)benzamide
CID 22759587
N-(4-bromophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 1110113
N-(2-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 1289805
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(3-nitrophenyl)furan-2-carboxamide?
The IUPAC name of 5-iodo-N-(3-nitrophenyl)furan-2-carboxamide (CID 71370973) is 5-iodo-N-(3-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-iodo-N-(3-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for 5-iodo-N-(3-nitrophenyl)furan-2-carboxamide is O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(I)o1.
What is the InChIKey of 5-iodo-N-(3-nitrophenyl)furan-2-carboxamide?
The InChIKey is VVJDOYCBHOIFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7IN2O4/c12-10-5-4-9(18-10)11(15)13-7-2-1-3-8(6-7)14(16)17/h1-6H,(H,13,15).
What are the key properties of 5-iodo-N-(3-nitrophenyl)furan-2-carboxamide?
5-iodo-N-(3-nitrophenyl)furan-2-carboxamide has a molecular weight of 358.09 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(3-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 71370973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).