5-ethyl-N-(4-methoxy-2-nitrophenyl)-3-methyl-1-benzofuran-2-carboxamide

C19H18N2O5 — CID 19241179

IUPAC5-ethyl-N-(4-methoxy-2-nitrophenyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCCc1ccc2oc(C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])c(C)c2c1
InChIInChI=1S/C19H18N2O5/c1-4-12-5-8-17-14(9-12)11(2)18(26-17)19(22)20-15-7-6-13(25-3)10-16(15)21(23)24/h5-10H,4H2,1-3H3,(H,20,22)
InChIKeyYZFUQSCDALDVKE-UHFFFAOYSA-N
MW354.36 g/mol
LogP4.47
Rot. Bonds5

About 5-ethyl-N-(4-methoxy-2-nitrophenyl)-3-methyl-1-benzofuran-2-carboxamide

5-ethyl-N-(4-methoxy-2-nitrophenyl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 19241179) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is 5-ethyl-N-(4-methoxy-2-nitrophenyl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(4-methoxy-2-nitrophenyl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID19241179
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name5-ethyl-N-(4-methoxy-2-nitrophenyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCCc1ccc2oc(C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])c(C)c2c1
InChIInChI=1S/C19H18N2O5/c1-4-12-5-8-17-14(9-12)11(2)18(26-17)19(22)20-15-7-6-13(25-3)10-16(15)21(23)24/h5-10H,4H2,1-3H3,(H,20,22)
InChIKeyYZFUQSCDALDVKE-UHFFFAOYSA-N
XLogP4.47
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 54.47
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

5-ethyl-N-(2-ethylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 19241076
N-(2-hydroxy-4-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 17473856
3,5-dimethyl-N-[2-nitro-4-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
CID 2947363
N-(2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8909222
N-tert-butyl-5-ethyl-3-methyl-1-benzofuran-2-carboxamide
CID 19241054
N-(3-acetamido-2-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 134019144
N-(2,3-dimethylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2679062
ethyl 5-chloro-4-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-2-methoxybenzoate
CID 19241249
N-[4-(2-hydroxyethyl)phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 110922986
N-(4-methoxy-2-nitrophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 3588829
5-ethyl-3-methyl-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide
CID 19241097
N-(3,5-dimethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 7959819

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(4-methoxy-2-nitrophenyl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-ethyl-N-(4-methoxy-2-nitrophenyl)-3-methyl-1-benzofuran-2-carboxamide (CID 19241179) is 5-ethyl-N-(4-methoxy-2-nitrophenyl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-(4-methoxy-2-nitrophenyl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-ethyl-N-(4-methoxy-2-nitrophenyl)-3-methyl-1-benzofuran-2-carboxamide is CCc1ccc2oc(C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])c(C)c2c1.
What is the InChIKey of 5-ethyl-N-(4-methoxy-2-nitrophenyl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is YZFUQSCDALDVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-4-12-5-8-17-14(9-12)11(2)18(26-17)19(22)20-15-7-6-13(25-3)10-16(15)21(23)24/h5-10H,4H2,1-3H3,(H,20,22).
What are the key properties of 5-ethyl-N-(4-methoxy-2-nitrophenyl)-3-methyl-1-benzofuran-2-carboxamide?
5-ethyl-N-(4-methoxy-2-nitrophenyl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 354.36 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(4-methoxy-2-nitrophenyl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 19241179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).