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

C17H13N3O5 — CID 7385755

IUPAC3-[(4-methyl-3-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2c(C(N)=O)oc3ccccc23)cc1[N+](=O)[O-]
InChIInChI=1S/C17H13N3O5/c1-9-6-7-10(8-12(9)20(23)24)17(22)19-14-11-4-2-3-5-13(11)25-15(14)16(18)21/h2-8H,1H3,(H2,18,21)(H,19,22)
InChIKeyWQNDXVSPSDPJTR-UHFFFAOYSA-N
MW339.31 g/mol
LogP3.00
Rot. Bonds4

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

3-[(4-methyl-3-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide (PubChem CID 7385755) has the molecular formula C17H13N3O5 and a molecular weight of 339.31 g/mol. Its IUPAC name is 3-[(4-methyl-3-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[(4-methyl-3-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide
PubChem CID7385755
Molecular FormulaC17H13N3O5
Molecular Weight339.31 g/mol
Exact Mass339.09
IUPAC Name3-[(4-methyl-3-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2c(C(N)=O)oc3ccccc23)cc1[N+](=O)[O-]
InChIInChI=1S/C17H13N3O5/c1-9-6-7-10(8-12(9)20(23)24)17(22)19-14-11-4-2-3-5-13(11)25-15(14)16(18)21/h2-8H,1H3,(H2,18,21)(H,19,22)
InChIKeyWQNDXVSPSDPJTR-UHFFFAOYSA-N
XLogP3.00
TPSA128.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 53.00
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-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide
CID 3517374
3-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide
CID 43990998
N-[4-[(4-methyl-3-nitrobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 22776431
3-[(4-chlorobenzoyl)amino]-1-benzofuran-2-carboxamide
CID 587379
3-[[4-(dimethylamino)benzoyl]amino]-1-benzofuran-2-carboxamide
CID 5051440
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-chloro-3-nitrobenzamide
CID 3445710
3-[[4-(2-methylpropanoylamino)benzoyl]amino]-1-benzofuran-2-carboxamide
CID 167790473
N-(2-chloro-6-methylphenyl)-4-methyl-3-nitrobenzamide
CID 711319
4-chloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-3-nitrobenzamide
CID 18847930
ethane;4-methyl-3-nitrobenzamide
CID 143806264
N-(2-cyanophenyl)-4-methyl-3-nitrobenzamide
CID 24710737
N-(3,5-dimethylphenyl)-4-methyl-3-nitrobenzamide
CID 779436

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-3-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[(4-methyl-3-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide (CID 7385755) is 3-[(4-methyl-3-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[(4-methyl-3-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[(4-methyl-3-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide is Cc1ccc(C(=O)Nc2c(C(N)=O)oc3ccccc23)cc1[N+](=O)[O-].
What is the InChIKey of 3-[(4-methyl-3-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide?
The InChIKey is WQNDXVSPSDPJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O5/c1-9-6-7-10(8-12(9)20(23)24)17(22)19-14-11-4-2-3-5-13(11)25-15(14)16(18)21/h2-8H,1H3,(H2,18,21)(H,19,22).
What are the key properties of 3-[(4-methyl-3-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide?
3-[(4-methyl-3-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide has a molecular weight of 339.31 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-3-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7385755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).