N-[3-(furan-2-carbonylamino)phenyl]-5-nitrofuran-2-carboxamide

C16H11N3O6 — CID 790478

IUPACN-[3-(furan-2-carbonylamino)phenyl]-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1)c1ccco1
InChIInChI=1S/C16H11N3O6/c20-15(12-5-2-8-24-12)17-10-3-1-4-11(9-10)18-16(21)13-6-7-14(25-13)19(22)23/h1-9H,(H,17,20)(H,18,21)
InChIKeyULWDBWHXYUCIPU-UHFFFAOYSA-N
MW341.28 g/mol
LogP3.29
Rot. Bonds5

About N-[3-(furan-2-carbonylamino)phenyl]-5-nitrofuran-2-carboxamide

N-[3-(furan-2-carbonylamino)phenyl]-5-nitrofuran-2-carboxamide (PubChem CID 790478) has the molecular formula C16H11N3O6 and a molecular weight of 341.28 g/mol. Its IUPAC name is N-[3-(furan-2-carbonylamino)phenyl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-2-carbonylamino)phenyl]-5-nitrofuran-2-carboxamide
PubChem CID790478
Molecular FormulaC16H11N3O6
Molecular Weight341.28 g/mol
Exact Mass341.06
IUPAC NameN-[3-(furan-2-carbonylamino)phenyl]-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1)c1ccco1
InChIInChI=1S/C16H11N3O6/c20-15(12-5-2-8-24-12)17-10-3-1-4-11(9-10)18-16(21)13-6-7-14(25-13)19(22)23/h1-9H,(H,17,20)(H,18,21)
InChIKeyULWDBWHXYUCIPU-UHFFFAOYSA-N
XLogP3.29
TPSA127.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.28
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(4-iodophenyl)-5-nitrofuran-2-carboxamide
CID 1103958
N-Phenyl-2-furancarboxamide
CID 220406
N-(2-methoxy-5-nitrophenyl)furan-2-carboxamide
CID 710698
1-Furfuryl-3-(3-nitrophenyl)urea
CID 239941
N-(3-nitrophenyl)furan-2-carboxamide
CID 531897
N-(2-morpholinophenyl)-5-nitrofuran-2-carboxamide
CID 2996093
N-(4-methoxyphenyl)-5-nitrofuran-2-carboxamide
CID 774010
N-(4-morpholin-4-ylphenyl)-5-nitrofuran-2-carboxamide
CID 774021
N-(furan-2-ylmethyl)-5-nitrofuran-2-carboxamide
CID 694001
N-(4-chlorophenyl)-5-nitrofuran-2-carboxamide
CID 844044
N-(4-hydroxyphenyl)(5-nitro(2-furyl))carboxamide
CID 3099053
N-(2-methoxyphenyl)-5-nitrofuran-2-carboxamide
CID 694009

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-carbonylamino)phenyl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[3-(furan-2-carbonylamino)phenyl]-5-nitrofuran-2-carboxamide (CID 790478) is N-[3-(furan-2-carbonylamino)phenyl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[3-(furan-2-carbonylamino)phenyl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[3-(furan-2-carbonylamino)phenyl]-5-nitrofuran-2-carboxamide is O=C(Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1)c1ccco1.
What is the InChIKey of N-[3-(furan-2-carbonylamino)phenyl]-5-nitrofuran-2-carboxamide?
The InChIKey is ULWDBWHXYUCIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O6/c20-15(12-5-2-8-24-12)17-10-3-1-4-11(9-10)18-16(21)13-6-7-14(25-13)19(22)23/h1-9H,(H,17,20)(H,18,21).
What are the key properties of N-[3-(furan-2-carbonylamino)phenyl]-5-nitrofuran-2-carboxamide?
N-[3-(furan-2-carbonylamino)phenyl]-5-nitrofuran-2-carboxamide has a molecular weight of 341.28 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-carbonylamino)phenyl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 790478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).