3-(ethoxymethyl)-N-(4-fluoro-3-nitrophenyl)-1-benzofuran-2-carboxamide

C18H15FN2O5 — CID 9076856

IUPAC3-(ethoxymethyl)-N-(4-fluoro-3-nitrophenyl)-1-benzofuran-2-carboxamide
SMILESCCOCc1c(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)oc2ccccc12
InChIInChI=1S/C18H15FN2O5/c1-2-25-10-13-12-5-3-4-6-16(12)26-17(13)18(22)20-11-7-8-14(19)15(9-11)21(23)24/h3-9H,2,10H2,1H3,(H,20,22)
InChIKeyBHGKFMJOCOBAME-UHFFFAOYSA-N
MW358.33 g/mol
LogP4.27
Rot. Bonds6

About 3-(ethoxymethyl)-N-(4-fluoro-3-nitrophenyl)-1-benzofuran-2-carboxamide

3-(ethoxymethyl)-N-(4-fluoro-3-nitrophenyl)-1-benzofuran-2-carboxamide (PubChem CID 9076856) has the molecular formula C18H15FN2O5 and a molecular weight of 358.33 g/mol. Its IUPAC name is 3-(ethoxymethyl)-N-(4-fluoro-3-nitrophenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-(ethoxymethyl)-N-(4-fluoro-3-nitrophenyl)-1-benzofuran-2-carboxamide
PubChem CID9076856
Molecular FormulaC18H15FN2O5
Molecular Weight358.33 g/mol
Exact Mass358.10
IUPAC Name3-(ethoxymethyl)-N-(4-fluoro-3-nitrophenyl)-1-benzofuran-2-carboxamide
SMILESCCOCc1c(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)oc2ccccc12
InChIInChI=1S/C18H15FN2O5/c1-2-25-10-13-12-5-3-4-6-16(12)26-17(13)18(22)20-11-7-8-14(19)15(9-11)21(23)24/h3-9H,2,10H2,1H3,(H,20,22)
InChIKeyBHGKFMJOCOBAME-UHFFFAOYSA-N
XLogP4.27
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.33
LogP ≤ 54.27
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'}

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Related Compounds

[2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 2661314
N-(4-fluoro-3-nitrophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 9076846
3-(ethoxymethyl)-N'-(3-nitrobenzoyl)-1-benzofuran-2-carbohydrazide
CID 8867085
3-(methoxymethyl)-N-(3-nitrophenyl)-1-benzofuran-2-carboxamide
CID 9070735
N-(3-acetamido-4-fluorophenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 24656109
3-(ethoxymethyl)-N-(4-fluoro-3-nitrophenyl)-4-methoxybenzamide
CID 9076960
N-(4-fluoro-3-nitrophenyl)-1-oxo-4-phenylisochromene-3-carboxamide
CID 4282313
3-(ethoxymethyl)-N-(2-methoxydibenzofuran-3-yl)-1-benzofuran-2-carboxamide
CID 9098193
N-(3-chloro-4-fluorophenyl)-3-[(2-ethoxyacetyl)amino]-1-benzofuran-2-carboxamide
CID 7200193
N-(4-fluoro-3-nitrophenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 9076976
N-[(3-chlorophenyl)methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide
CID 9079515
3,5-diethoxy-N-(4-fluoro-3-nitrophenyl)benzamide
CID 875669

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-N-(4-fluoro-3-nitrophenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-(ethoxymethyl)-N-(4-fluoro-3-nitrophenyl)-1-benzofuran-2-carboxamide (CID 9076856) is 3-(ethoxymethyl)-N-(4-fluoro-3-nitrophenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-(ethoxymethyl)-N-(4-fluoro-3-nitrophenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-(ethoxymethyl)-N-(4-fluoro-3-nitrophenyl)-1-benzofuran-2-carboxamide is CCOCc1c(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)oc2ccccc12.
What is the InChIKey of 3-(ethoxymethyl)-N-(4-fluoro-3-nitrophenyl)-1-benzofuran-2-carboxamide?
The InChIKey is BHGKFMJOCOBAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O5/c1-2-25-10-13-12-5-3-4-6-16(12)26-17(13)18(22)20-11-7-8-14(19)15(9-11)21(23)24/h3-9H,2,10H2,1H3,(H,20,22).
What are the key properties of 3-(ethoxymethyl)-N-(4-fluoro-3-nitrophenyl)-1-benzofuran-2-carboxamide?
3-(ethoxymethyl)-N-(4-fluoro-3-nitrophenyl)-1-benzofuran-2-carboxamide has a molecular weight of 358.33 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-N-(4-fluoro-3-nitrophenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9076856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).