N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-nitrophenoxy)acetamide

C24H18N2O7 — CID 1418905

IUPACN-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-nitrophenoxy)acetamide
SMILESCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C24H18N2O7/c1-31-17-10-6-15(7-11-17)23(28)24-22(19-4-2-3-5-20(19)33-24)25-21(27)14-32-18-12-8-16(9-13-18)26(29)30/h2-13H,14H2,1H3,(H,25,27)
InChIKeyJELHJEVKKOPHBL-UHFFFAOYSA-N
MW446.42 g/mol
LogP4.60
Rot. Bonds8

About N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-nitrophenoxy)acetamide

N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-nitrophenoxy)acetamide (PubChem CID 1418905) has the molecular formula C24H18N2O7 and a molecular weight of 446.42 g/mol. Its IUPAC name is N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-nitrophenoxy)acetamide
PubChem CID1418905
Molecular FormulaC24H18N2O7
Molecular Weight446.42 g/mol
Exact Mass446.11
IUPAC NameN-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-nitrophenoxy)acetamide
SMILESCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C24H18N2O7/c1-31-17-10-6-15(7-11-17)23(28)24-22(19-4-2-3-5-20(19)33-24)25-21(27)14-32-18-12-8-16(9-13-18)26(29)30/h2-13H,14H2,1H3,(H,25,27)
InChIKeyJELHJEVKKOPHBL-UHFFFAOYSA-N
XLogP4.60
TPSA120.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.42
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(3-nitrophenoxy)acetamide
CID 3445964
N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-(4-methylphenoxy)acetamide
CID 5192279
N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]pentanamide
CID 4289355
N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 3450184
2-(4-ethylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide
CID 3324906
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 3324901
N-(4-methoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16814466
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 19114863
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-ethylphenoxy)acetamide
CID 19114877
N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 20926267
3,4,5-trimethoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 3445711
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-4-nitrobenzamide
CID 1423526

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-nitrophenoxy)acetamide (CID 1418905) is N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-nitrophenoxy)acetamide is COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-nitrophenoxy)acetamide?
The InChIKey is JELHJEVKKOPHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O7/c1-31-17-10-6-15(7-11-17)23(28)24-22(19-4-2-3-5-20(19)33-24)25-21(27)14-32-18-12-8-16(9-13-18)26(29)30/h2-13H,14H2,1H3,(H,25,27).
What are the key properties of N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-nitrophenoxy)acetamide?
N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-nitrophenoxy)acetamide has a molecular weight of 446.42 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 1418905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).