N-(2-methyl-4-nitrophenyl)-1-benzofuran-2-carboxamide

C16H12N2O4 — CID 2864134

IUPACN-(2-methyl-4-nitrophenyl)-1-benzofuran-2-carboxamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C16H12N2O4/c1-10-8-12(18(20)21)6-7-13(10)17-16(19)15-9-11-4-2-3-5-14(11)22-15/h2-9H,1H3,(H,17,19)
InChIKeyRBHJROQKKREBGS-UHFFFAOYSA-N
MW296.28 g/mol
LogP3.90
Rot. Bonds3

About N-(2-methyl-4-nitrophenyl)-1-benzofuran-2-carboxamide

N-(2-methyl-4-nitrophenyl)-1-benzofuran-2-carboxamide (PubChem CID 2864134) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is N-(2-methyl-4-nitrophenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-4-nitrophenyl)-1-benzofuran-2-carboxamide
PubChem CID2864134
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC NameN-(2-methyl-4-nitrophenyl)-1-benzofuran-2-carboxamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C16H12N2O4/c1-10-8-12(18(20)21)6-7-13(10)17-16(19)15-9-11-4-2-3-5-14(11)22-15/h2-9H,1H3,(H,17,19)
InChIKeyRBHJROQKKREBGS-UHFFFAOYSA-N
XLogP3.90
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-methyl-4-nitrophenyl)-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-acetylphenyl)-1-benzofuran-2-carboxamide
CID 675185
N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 725640
N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 725663
N-(2-Benzoyl-3-benzofuranyl)acetamide
CID 616884
N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
CID 725651
N-[4-(hexanoylamino)-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 1868107
N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide
CID 57873531
Benzofuran-2-carboxylic acid (4-amino-2-methoxy-phenyl)-amide
CID 675397
N-[4-(4-methylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 834154
5-(3-nitrophenyl)-N-(2-oxochromen-6-yl)furan-2-carboxamide
CID 1423646
N-(4-methoxyphenyl)-5-(4-nitrophenyl)furan-2-carboxamide
CID 5114629
4-(Benzofuran-2-carboxamido)benzoic acid
CID 704202

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-nitrophenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-methyl-4-nitrophenyl)-1-benzofuran-2-carboxamide (CID 2864134) is N-(2-methyl-4-nitrophenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-methyl-4-nitrophenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-methyl-4-nitrophenyl)-1-benzofuran-2-carboxamide is Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-(2-methyl-4-nitrophenyl)-1-benzofuran-2-carboxamide?
The InChIKey is RBHJROQKKREBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c1-10-8-12(18(20)21)6-7-13(10)17-16(19)15-9-11-4-2-3-5-14(11)22-15/h2-9H,1H3,(H,17,19).
What are the key properties of N-(2-methyl-4-nitrophenyl)-1-benzofuran-2-carboxamide?
N-(2-methyl-4-nitrophenyl)-1-benzofuran-2-carboxamide has a molecular weight of 296.28 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-nitrophenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2864134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).