N-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-nitrobenzamide

C17H16N2O5 — CID 92757776

IUPACN-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-nitrobenzamide
SMILESCOc1ccc2c(c1)C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)O2
InChIInChI=1S/C17H16N2O5/c1-23-14-5-6-16-12(8-14)9-15(24-16)10-18-17(20)11-3-2-4-13(7-11)19(21)22/h2-8,15H,9-10H2,1H3,(H,18,20)/t15-/m1/s1
InChIKeyJPNHSNJKCNXODZ-OAHLLOKOSA-N
MW328.32 g/mol
LogP2.34
Rot. Bonds5

About N-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-nitrobenzamide

N-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-nitrobenzamide (PubChem CID 92757776) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is N-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-nitrobenzamide
PubChem CID92757776
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC NameN-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-nitrobenzamide
SMILESCOc1ccc2c(c1)C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)O2
InChIInChI=1S/C17H16N2O5/c1-23-14-5-6-16-12(8-14)9-15(24-16)10-18-17(20)11-3-2-4-13(7-11)19(21)22/h2-8,15H,9-10H2,1H3,(H,18,20)/t15-/m1/s1
InChIKeyJPNHSNJKCNXODZ-OAHLLOKOSA-N
XLogP2.34
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.34
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 N-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-nitrobenzamide 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

4-bromo-N-[[(2S)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylbenzamide
CID 92758303
N-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 46704833
3,4-dimethoxy-N-[[(2R)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 92767700
3-fluoro-N-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(trifluoromethyl)benzamide
CID 92759603
(E)-N-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]but-2-enamide
CID 42656668
N-[[(2S)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-phenoxyacetamide
CID 92757032
3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 966750
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-nitrobenzamide
CID 45001537
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(3-nitrophenyl)methyl]urea
CID 86855198
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3-methoxybenzamide
CID 90635187
methyl 2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate
CID 46090259
4-fluoro-N-[(5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 46082466

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-nitrobenzamide?
The IUPAC name of N-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-nitrobenzamide (CID 92757776) is N-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-nitrobenzamide.
What is the SMILES notation for N-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-nitrobenzamide?
The canonical SMILES for N-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-nitrobenzamide is COc1ccc2c(c1)C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)O2.
What is the InChIKey of N-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-nitrobenzamide?
The InChIKey is JPNHSNJKCNXODZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-23-14-5-6-16-12(8-14)9-15(24-16)10-18-17(20)11-3-2-4-13(7-11)19(21)22/h2-8,15H,9-10H2,1H3,(H,18,20)/t15-/m1/s1.
What are the key properties of N-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-nitrobenzamide?
N-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-nitrobenzamide has a molecular weight of 328.32 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-nitrobenzamide is sourced from PubChem (CID 92757776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).