3-(methoxymethyl)-N-(3-nitrophenyl)-1-benzofuran-2-carboxamide

C17H14N2O5 — CID 9070735

IUPAC3-(methoxymethyl)-N-(3-nitrophenyl)-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2ccccc12
InChIInChI=1S/C17H14N2O5/c1-23-10-14-13-7-2-3-8-15(13)24-16(14)17(20)18-11-5-4-6-12(9-11)19(21)22/h2-9H,10H2,1H3,(H,18,20)
InChIKeyZXUNDFYKVRNSRG-UHFFFAOYSA-N
MW326.31 g/mol
LogP3.74
Rot. Bonds5

About 3-(methoxymethyl)-N-(3-nitrophenyl)-1-benzofuran-2-carboxamide

3-(methoxymethyl)-N-(3-nitrophenyl)-1-benzofuran-2-carboxamide (PubChem CID 9070735) has the molecular formula C17H14N2O5 and a molecular weight of 326.31 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-(3-nitrophenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-(3-nitrophenyl)-1-benzofuran-2-carboxamide
PubChem CID9070735
Molecular FormulaC17H14N2O5
Molecular Weight326.31 g/mol
Exact Mass326.09
IUPAC Name3-(methoxymethyl)-N-(3-nitrophenyl)-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2ccccc12
InChIInChI=1S/C17H14N2O5/c1-23-10-14-13-7-2-3-8-15(13)24-16(14)17(20)18-11-5-4-6-12(9-11)19(21)22/h2-9H,10H2,1H3,(H,18,20)
InChIKeyZXUNDFYKVRNSRG-UHFFFAOYSA-N
XLogP3.74
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 53.74
H-Bond Donors ≤ 51
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'}

Analyze 3-(methoxymethyl)-N-(3-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

3-(methoxymethyl)-N-[3-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 18084321
3-(methoxymethyl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-1-benzofuran-2-carboxamide
CID 55507364
3-(ethoxymethyl)-N'-(3-nitrobenzoyl)-1-benzofuran-2-carbohydrazide
CID 8867085
(3-nitrophenyl)methyl 3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxylate
CID 55312482
3-(ethoxymethyl)-N-(4-fluoro-3-nitrophenyl)-1-benzofuran-2-carboxamide
CID 9076856
N-(3-acetamidophenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 7914455
N-tert-butyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 8779973
N-(2-methoxyethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 9205135
N-(3-benzamido-2-methylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55899409
N-(2,5-difluorophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 7770218
propyl 4-[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]benzoate
CID 29456795
3-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 55478663

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-(3-nitrophenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-(methoxymethyl)-N-(3-nitrophenyl)-1-benzofuran-2-carboxamide (CID 9070735) is 3-(methoxymethyl)-N-(3-nitrophenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-(methoxymethyl)-N-(3-nitrophenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-(methoxymethyl)-N-(3-nitrophenyl)-1-benzofuran-2-carboxamide is COCc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2ccccc12.
What is the InChIKey of 3-(methoxymethyl)-N-(3-nitrophenyl)-1-benzofuran-2-carboxamide?
The InChIKey is ZXUNDFYKVRNSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5/c1-23-10-14-13-7-2-3-8-15(13)24-16(14)17(20)18-11-5-4-6-12(9-11)19(21)22/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of 3-(methoxymethyl)-N-(3-nitrophenyl)-1-benzofuran-2-carboxamide?
3-(methoxymethyl)-N-(3-nitrophenyl)-1-benzofuran-2-carboxamide has a molecular weight of 326.31 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-(3-nitrophenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9070735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).