N-tert-butyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide

C23H25FN2O4 — CID 75457324

IUPACN-tert-butyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
SMILESCOc1ccc2c(CC(=O)N(CC(=O)Nc3ccc(F)cc3)C(C)(C)C)coc2c1
InChIInChI=1S/C23H25FN2O4/c1-23(2,3)26(13-21(27)25-17-7-5-16(24)6-8-17)22(28)11-15-14-30-20-12-18(29-4)9-10-19(15)20/h5-10,12,14H,11,13H2,1-4H3,(H,25,27)
InChIKeyIXSSUFBLSYVQSA-UHFFFAOYSA-N
MW412.46 g/mol
LogP4.39
Rot. Bonds6

About N-tert-butyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide

N-tert-butyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide (PubChem CID 75457324) has the molecular formula C23H25FN2O4 and a molecular weight of 412.46 g/mol. Its IUPAC name is N-tert-butyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
PubChem CID75457324
Molecular FormulaC23H25FN2O4
Molecular Weight412.46 g/mol
Exact Mass412.18
IUPAC NameN-tert-butyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
SMILESCOc1ccc2c(CC(=O)N(CC(=O)Nc3ccc(F)cc3)C(C)(C)C)coc2c1
InChIInChI=1S/C23H25FN2O4/c1-23(2,3)26(13-21(27)25-17-7-5-16(24)6-8-17)22(28)11-15-14-30-20-12-18(29-4)9-10-19(15)20/h5-10,12,14H,11,13H2,1-4H3,(H,25,27)
InChIKeyIXSSUFBLSYVQSA-UHFFFAOYSA-N
XLogP4.39
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-ethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 9440831
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2664215
N-(4-fluorophenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide
CID 9252835
N-[4-(dimethylsulfamoyl)phenyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2672835
4-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 46803550
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2128721
2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxy-N-(4-methoxyphenyl)acetamide
CID 2357934
tert-butyl-[2-(4-methoxyanilino)-2-oxoethyl]carbamic acid
CID 118953222
[4-(4-fluorobenzoyl)phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2713459
N-[1-(2,4-difluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 51150333
2-(6-methoxy-1-benzofuran-3-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 2665602
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 7925136

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-tert-butyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide (CID 75457324) is N-tert-butyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-tert-butyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-tert-butyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide is COc1ccc2c(CC(=O)N(CC(=O)Nc3ccc(F)cc3)C(C)(C)C)coc2c1.
What is the InChIKey of N-tert-butyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The InChIKey is IXSSUFBLSYVQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O4/c1-23(2,3)26(13-21(27)25-17-7-5-16(24)6-8-17)22(28)11-15-14-30-20-12-18(29-4)9-10-19(15)20/h5-10,12,14H,11,13H2,1-4H3,(H,25,27).
What are the key properties of N-tert-butyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
N-tert-butyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide has a molecular weight of 412.46 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 75457324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).