3-[(5-nitrofuran-2-carbonyl)amino]-1-benzofuran-2-carboxamide

C14H9N3O6 — CID 5017142

IUPAC3-[(5-nitrofuran-2-carbonyl)amino]-1-benzofuran-2-carboxamide
SMILESNC(=O)c1oc2ccccc2c1NC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C14H9N3O6/c15-13(18)12-11(7-3-1-2-4-8(7)23-12)16-14(19)9-5-6-10(22-9)17(20)21/h1-6H,(H2,15,18)(H,16,19)
InChIKeyASYHJCPZWQIFAK-UHFFFAOYSA-N
MW315.24 g/mol
LogP2.29
Rot. Bonds4

About 3-[(5-nitrofuran-2-carbonyl)amino]-1-benzofuran-2-carboxamide

3-[(5-nitrofuran-2-carbonyl)amino]-1-benzofuran-2-carboxamide (PubChem CID 5017142) has the molecular formula C14H9N3O6 and a molecular weight of 315.24 g/mol. Its IUPAC name is 3-[(5-nitrofuran-2-carbonyl)amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[(5-nitrofuran-2-carbonyl)amino]-1-benzofuran-2-carboxamide
PubChem CID5017142
Molecular FormulaC14H9N3O6
Molecular Weight315.24 g/mol
Exact Mass315.05
IUPAC Name3-[(5-nitrofuran-2-carbonyl)amino]-1-benzofuran-2-carboxamide
SMILESNC(=O)c1oc2ccccc2c1NC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C14H9N3O6/c15-13(18)12-11(7-3-1-2-4-8(7)23-12)16-14(19)9-5-6-10(22-9)17(20)21/h1-6H,(H2,15,18)(H,16,19)
InChIKeyASYHJCPZWQIFAK-UHFFFAOYSA-N
XLogP2.29
TPSA141.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 52.29
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

3-Hydroxy-1H-benzo[4,5]furo[3,2-d]pyrimidine-2,4-dione
CID 11572062
ST075932
CID 2864134
N-phenyl-1-benzofuran-2-carboxamide
CID 725692
N-(2-methoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 776606
N-(dibenzo[b,d]furan-3-yl)-5-nitrofuran-2-carboxamide
CID 2866412
N-(2-ethoxyphenyl)-3-(tetrahydrofuran-2-carboxamido)benzofuran-2-carboxamide
CID 16194954
N-(4-acetylphenyl)-5-nitrofuran-2-carboxamide
CID 773976
3-[(4-Ethoxybenzoyl)amino]-1-benzofuran-2-carboxamide
CID 3235679
3-[(cyclopropylcarbonyl)amino]-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 3243757
3-(4-Fluorobenzamido)benzofuran-2-carboxamide
CID 3273996
3-[[(3-Methoxyphenyl)-oxomethyl]amino]-2-benzofurancarboxamide
CID 4053250
3-[(2-Phenylacetyl)amino]-1-benzofuran-2-carboxamide
CID 739886

Frequently Asked Questions

What is the IUPAC name of 3-[(5-nitrofuran-2-carbonyl)amino]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[(5-nitrofuran-2-carbonyl)amino]-1-benzofuran-2-carboxamide (CID 5017142) is 3-[(5-nitrofuran-2-carbonyl)amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[(5-nitrofuran-2-carbonyl)amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[(5-nitrofuran-2-carbonyl)amino]-1-benzofuran-2-carboxamide is NC(=O)c1oc2ccccc2c1NC(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 3-[(5-nitrofuran-2-carbonyl)amino]-1-benzofuran-2-carboxamide?
The InChIKey is ASYHJCPZWQIFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O6/c15-13(18)12-11(7-3-1-2-4-8(7)23-12)16-14(19)9-5-6-10(22-9)17(20)21/h1-6H,(H2,15,18)(H,16,19).
What are the key properties of 3-[(5-nitrofuran-2-carbonyl)amino]-1-benzofuran-2-carboxamide?
3-[(5-nitrofuran-2-carbonyl)amino]-1-benzofuran-2-carboxamide has a molecular weight of 315.24 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-nitrofuran-2-carbonyl)amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 5017142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).