3-[(4-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide

C16H11N3O5 — CID 3517374

IUPAC3-[(4-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide
SMILESNC(=O)c1oc2ccccc2c1NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H11N3O5/c17-15(20)14-13(11-3-1-2-4-12(11)24-14)18-16(21)9-5-7-10(8-6-9)19(22)23/h1-8H,(H2,17,20)(H,18,21)
InChIKeyPYOWOUMSRBXOJE-UHFFFAOYSA-N
MW325.28 g/mol
LogP2.69
Rot. Bonds4

About 3-[(4-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide

3-[(4-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide (PubChem CID 3517374) has the molecular formula C16H11N3O5 and a molecular weight of 325.28 g/mol. Its IUPAC name is 3-[(4-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[(4-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide
PubChem CID3517374
Molecular FormulaC16H11N3O5
Molecular Weight325.28 g/mol
Exact Mass325.07
IUPAC Name3-[(4-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide
SMILESNC(=O)c1oc2ccccc2c1NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H11N3O5/c17-15(20)14-13(11-3-1-2-4-12(11)24-14)18-16(21)9-5-7-10(8-6-9)19(22)23/h1-8H,(H2,17,20)(H,18,21)
InChIKeyPYOWOUMSRBXOJE-UHFFFAOYSA-N
XLogP2.69
TPSA128.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(4-chlorobenzoyl)amino]-1-benzofuran-2-carboxamide
CID 587379
3-[(4-methyl-3-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide
CID 7385755
3-[[4-(dimethylamino)benzoyl]amino]-1-benzofuran-2-carboxamide
CID 5051440
3-[(3,4-difluorobenzoyl)amino]-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide
CID 16814793
3-[[4-(2-methylpropanoylamino)benzoyl]amino]-1-benzofuran-2-carboxamide
CID 167790473
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-4-nitrobenzamide
CID 1423526
3-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]-1-benzofuran-2-carboxamide
CID 3608343
3-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide
CID 43990998
3-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide
CID 16822812
3-(butanoylamino)-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide
CID 7160085
3-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-1-benzofuran-2-carboxamide
CID 18558792
3-(cyclopentanecarbonylamino)-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide
CID 7160097

Frequently Asked Questions

What is the IUPAC name of 3-[(4-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[(4-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide (CID 3517374) is 3-[(4-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[(4-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[(4-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide is NC(=O)c1oc2ccccc2c1NC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-[(4-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide?
The InChIKey is PYOWOUMSRBXOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O5/c17-15(20)14-13(11-3-1-2-4-12(11)24-14)18-16(21)9-5-7-10(8-6-9)19(22)23/h1-8H,(H2,17,20)(H,18,21).
What are the key properties of 3-[(4-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide?
3-[(4-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide has a molecular weight of 325.28 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 3517374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).