N-(2-methoxydibenzofuran-3-yl)-2-(6-nitroindazol-1-yl)acetamide

C22H16N4O5 — CID 18151469

IUPACN-(2-methoxydibenzofuran-3-yl)-2-(6-nitroindazol-1-yl)acetamide
SMILESCOc1cc2c(cc1NC(=O)Cn1ncc3ccc([N+](=O)[O-])cc31)oc1ccccc12
InChIInChI=1S/C22H16N4O5/c1-30-21-9-16-15-4-2-3-5-19(15)31-20(16)10-17(21)24-22(27)12-25-18-8-14(26(28)29)7-6-13(18)11-23-25/h2-11H,12H2,1H3,(H,24,27)
InChIKeyYDRMPVKBSYYXGG-UHFFFAOYSA-N
MW416.39 g/mol
LogP4.49
Rot. Bonds5

About N-(2-methoxydibenzofuran-3-yl)-2-(6-nitroindazol-1-yl)acetamide

N-(2-methoxydibenzofuran-3-yl)-2-(6-nitroindazol-1-yl)acetamide (PubChem CID 18151469) has the molecular formula C22H16N4O5 and a molecular weight of 416.39 g/mol. Its IUPAC name is N-(2-methoxydibenzofuran-3-yl)-2-(6-nitroindazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxydibenzofuran-3-yl)-2-(6-nitroindazol-1-yl)acetamide
PubChem CID18151469
Molecular FormulaC22H16N4O5
Molecular Weight416.39 g/mol
Exact Mass416.11
IUPAC NameN-(2-methoxydibenzofuran-3-yl)-2-(6-nitroindazol-1-yl)acetamide
SMILESCOc1cc2c(cc1NC(=O)Cn1ncc3ccc([N+](=O)[O-])cc31)oc1ccccc12
InChIInChI=1S/C22H16N4O5/c1-30-21-9-16-15-4-2-3-5-19(15)31-20(16)10-17(21)24-22(27)12-25-18-8-14(26(28)29)7-6-13(18)11-23-25/h2-11H,12H2,1H3,(H,24,27)
InChIKeyYDRMPVKBSYYXGG-UHFFFAOYSA-N
XLogP4.49
TPSA112.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.39
LogP ≤ 54.49
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-methoxydibenzofuran-3-yl)-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide
CID 27207510
N-(2-methoxydibenzofuran-3-yl)-2-piperidin-1-ylacetamide
CID 2697422
N-(2-methoxydibenzofuran-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2419747
N-[(4-methylphenyl)methyl]-2-(6-nitroindazol-1-yl)acetamide
CID 16797364
N-(2-methoxydibenzofuran-3-yl)-2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41192882
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 7962349
2-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 2401504
N-(2-methoxydibenzofuran-3-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2684570
methyl 4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethoxy]-3-nitrobenzoate
CID 30122648
N-(2-methoxydibenzofuran-3-yl)-3,3-diphenylpropanamide
CID 2935191
2-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 8892864
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] cyclopropanecarboxylate
CID 2510908

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxydibenzofuran-3-yl)-2-(6-nitroindazol-1-yl)acetamide?
The IUPAC name of N-(2-methoxydibenzofuran-3-yl)-2-(6-nitroindazol-1-yl)acetamide (CID 18151469) is N-(2-methoxydibenzofuran-3-yl)-2-(6-nitroindazol-1-yl)acetamide.
What is the SMILES notation for N-(2-methoxydibenzofuran-3-yl)-2-(6-nitroindazol-1-yl)acetamide?
The canonical SMILES for N-(2-methoxydibenzofuran-3-yl)-2-(6-nitroindazol-1-yl)acetamide is COc1cc2c(cc1NC(=O)Cn1ncc3ccc([N+](=O)[O-])cc31)oc1ccccc12.
What is the InChIKey of N-(2-methoxydibenzofuran-3-yl)-2-(6-nitroindazol-1-yl)acetamide?
The InChIKey is YDRMPVKBSYYXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O5/c1-30-21-9-16-15-4-2-3-5-19(15)31-20(16)10-17(21)24-22(27)12-25-18-8-14(26(28)29)7-6-13(18)11-23-25/h2-11H,12H2,1H3,(H,24,27).
What are the key properties of N-(2-methoxydibenzofuran-3-yl)-2-(6-nitroindazol-1-yl)acetamide?
N-(2-methoxydibenzofuran-3-yl)-2-(6-nitroindazol-1-yl)acetamide has a molecular weight of 416.39 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxydibenzofuran-3-yl)-2-(6-nitroindazol-1-yl)acetamide is sourced from PubChem (CID 18151469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).