N-(4-ethoxy-2-methylphenyl)-N'-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]oxamide

C22H23FN2O4 — CID 86881162

IUPACN-(4-ethoxy-2-methylphenyl)-N'-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NC(C)c2oc3ccc(F)cc3c2C)c(C)c1
InChIInChI=1S/C22H23FN2O4/c1-5-28-16-7-8-18(12(2)10-16)25-22(27)21(26)24-14(4)20-13(3)17-11-15(23)6-9-19(17)29-20/h6-11,14H,5H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyCHIZFYMXTJUBDJ-UHFFFAOYSA-N
MW398.43 g/mol
LogP4.40
Rot. Bonds5

About N-(4-ethoxy-2-methylphenyl)-N'-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]oxamide

N-(4-ethoxy-2-methylphenyl)-N'-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]oxamide (PubChem CID 86881162) has the molecular formula C22H23FN2O4 and a molecular weight of 398.43 g/mol. Its IUPAC name is N-(4-ethoxy-2-methylphenyl)-N'-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]oxamide.

Molecular Properties

Compound NameN-(4-ethoxy-2-methylphenyl)-N'-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]oxamide
PubChem CID86881162
Molecular FormulaC22H23FN2O4
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC NameN-(4-ethoxy-2-methylphenyl)-N'-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NC(C)c2oc3ccc(F)cc3c2C)c(C)c1
InChIInChI=1S/C22H23FN2O4/c1-5-28-16-7-8-18(12(2)10-16)25-22(27)21(26)24-14(4)20-13(3)17-11-15(23)6-9-19(17)29-20/h6-11,14H,5H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyCHIZFYMXTJUBDJ-UHFFFAOYSA-N
XLogP4.40
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-N-[3-(2-methylpropanoylamino)phenyl]oxamide
CID 86881184
N-[3-(diethylaminomethyl)phenyl]-N'-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]oxamide
CID 86881180
N'-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]oxamide
CID 86881173
1-(2-aminopyrimidin-5-yl)-3-[(1R)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]urea
CID 166531837
N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111537749
N-(4-fluoro-2-methylphenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide
CID 95299337
N-[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]azetidine-1-carboxamide
CID 95333207
3-[[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]propanamide
CID 95325813
N-(4-fluoro-2-methylphenyl)-N'-propan-2-yloxamide
CID 47147961
2-amino-N-(4-ethoxy-2-methylphenyl)propanamide;hydrochloride
CID 119298449
2-bromo-N-(4-ethoxy-2-methylphenyl)propanamide
CID 107904117
N-(4-ethoxy-2-methylphenyl)-2-methoxypropanamide
CID 47312187

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-2-methylphenyl)-N'-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]oxamide?
The IUPAC name of N-(4-ethoxy-2-methylphenyl)-N'-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]oxamide (CID 86881162) is N-(4-ethoxy-2-methylphenyl)-N'-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]oxamide.
What is the SMILES notation for N-(4-ethoxy-2-methylphenyl)-N'-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]oxamide?
The canonical SMILES for N-(4-ethoxy-2-methylphenyl)-N'-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]oxamide is CCOc1ccc(NC(=O)C(=O)NC(C)c2oc3ccc(F)cc3c2C)c(C)c1.
What is the InChIKey of N-(4-ethoxy-2-methylphenyl)-N'-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]oxamide?
The InChIKey is CHIZFYMXTJUBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O4/c1-5-28-16-7-8-18(12(2)10-16)25-22(27)21(26)24-14(4)20-13(3)17-11-15(23)6-9-19(17)29-20/h6-11,14H,5H2,1-4H3,(H,24,26)(H,25,27).
What are the key properties of N-(4-ethoxy-2-methylphenyl)-N'-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]oxamide?
N-(4-ethoxy-2-methylphenyl)-N'-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]oxamide has a molecular weight of 398.43 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-2-methylphenyl)-N'-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]oxamide is sourced from PubChem (CID 86881162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).