N-(2-acetyl-1-benzofuran-3-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide

C18H15N3O6 — CID 17427447

IUPACN-(2-acetyl-1-benzofuran-3-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
SMILESCC(=O)c1oc2ccccc2c1NC(=O)COc1ccc(C)nc1[N+](=O)[O-]
InChIInChI=1S/C18H15N3O6/c1-10-7-8-14(18(19-10)21(24)25)26-9-15(23)20-16-12-5-3-4-6-13(12)27-17(16)11(2)22/h3-8H,9H2,1-2H3,(H,20,23)
InChIKeyCCEGYPCZSUONRB-UHFFFAOYSA-N
MW369.33 g/mol
LogP3.26
Rot. Bonds6

About N-(2-acetyl-1-benzofuran-3-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide

N-(2-acetyl-1-benzofuran-3-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide (PubChem CID 17427447) has the molecular formula C18H15N3O6 and a molecular weight of 369.33 g/mol. Its IUPAC name is N-(2-acetyl-1-benzofuran-3-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide.

Molecular Properties

Compound NameN-(2-acetyl-1-benzofuran-3-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
PubChem CID17427447
Molecular FormulaC18H15N3O6
Molecular Weight369.33 g/mol
Exact Mass369.10
IUPAC NameN-(2-acetyl-1-benzofuran-3-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
SMILESCC(=O)c1oc2ccccc2c1NC(=O)COc1ccc(C)nc1[N+](=O)[O-]
InChIInChI=1S/C18H15N3O6/c1-10-7-8-14(18(19-10)21(24)25)26-9-15(23)20-16-12-5-3-4-6-13(12)27-17(16)11(2)22/h3-8H,9H2,1-2H3,(H,20,23)
InChIKeyCCEGYPCZSUONRB-UHFFFAOYSA-N
XLogP3.26
TPSA124.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 53.26
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-(2,5-dimethylphenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
CID 4788672
3-[[2-(2-methylphenoxy)acetyl]amino]-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide
CID 16814848
2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(2,4,5-trichlorophenyl)acetamide
CID 4587350
N-[4-(dimethylamino)phenyl]-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
CID 3969167
N-(2-acetyl-1-benzofuran-3-yl)-2-propoxyacetamide
CID 86817850
N-(3-methoxyphenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
CID 4818074
2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(2-methylpropyl)acetamide
CID 4007812
N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-nitrophenoxy)acetamide
CID 1418905
N-(3-chloro-4-methoxyphenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
CID 4817365
2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-pentan-2-ylacetamide
CID 3882767
1-(2-bromophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone
CID 60626225
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 3445970

Frequently Asked Questions

What is the IUPAC name of N-(2-acetyl-1-benzofuran-3-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide?
The IUPAC name of N-(2-acetyl-1-benzofuran-3-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide (CID 17427447) is N-(2-acetyl-1-benzofuran-3-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide.
What is the SMILES notation for N-(2-acetyl-1-benzofuran-3-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide?
The canonical SMILES for N-(2-acetyl-1-benzofuran-3-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide is CC(=O)c1oc2ccccc2c1NC(=O)COc1ccc(C)nc1[N+](=O)[O-].
What is the InChIKey of N-(2-acetyl-1-benzofuran-3-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide?
The InChIKey is CCEGYPCZSUONRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O6/c1-10-7-8-14(18(19-10)21(24)25)26-9-15(23)20-16-12-5-3-4-6-13(12)27-17(16)11(2)22/h3-8H,9H2,1-2H3,(H,20,23).
What are the key properties of N-(2-acetyl-1-benzofuran-3-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide?
N-(2-acetyl-1-benzofuran-3-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide has a molecular weight of 369.33 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetyl-1-benzofuran-3-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide is sourced from PubChem (CID 17427447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).