tert-butyl 4-(1-benzofuran-2-yl)-2-[(4-fluorobenzoyl)amino]benzoate

C26H22FNO4 — CID 67344778

IUPACtert-butyl 4-(1-benzofuran-2-yl)-2-[(4-fluorobenzoyl)amino]benzoate
SMILESCC(C)(C)OC(=O)c1ccc(-c2cc3ccccc3o2)cc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C26H22FNO4/c1-26(2,3)32-25(30)20-13-10-18(23-15-17-6-4-5-7-22(17)31-23)14-21(20)28-24(29)16-8-11-19(27)12-9-16/h4-15H,1-3H3,(H,28,29)
InChIKeyURWBXZPURRPLTE-UHFFFAOYSA-N
MW431.46 g/mol
LogP6.45
Rot. Bonds4

About tert-butyl 4-(1-benzofuran-2-yl)-2-[(4-fluorobenzoyl)amino]benzoate

tert-butyl 4-(1-benzofuran-2-yl)-2-[(4-fluorobenzoyl)amino]benzoate (PubChem CID 67344778) has the molecular formula C26H22FNO4 and a molecular weight of 431.46 g/mol. Its IUPAC name is tert-butyl 4-(1-benzofuran-2-yl)-2-[(4-fluorobenzoyl)amino]benzoate.

Molecular Properties

Compound Nametert-butyl 4-(1-benzofuran-2-yl)-2-[(4-fluorobenzoyl)amino]benzoate
PubChem CID67344778
Molecular FormulaC26H22FNO4
Molecular Weight431.46 g/mol
Exact Mass431.15
IUPAC Nametert-butyl 4-(1-benzofuran-2-yl)-2-[(4-fluorobenzoyl)amino]benzoate
SMILESCC(C)(C)OC(=O)c1ccc(-c2cc3ccccc3o2)cc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C26H22FNO4/c1-26(2,3)32-25(30)20-13-10-18(23-15-17-6-4-5-7-22(17)31-23)14-21(20)28-24(29)16-8-11-19(27)12-9-16/h4-15H,1-3H3,(H,28,29)
InChIKeyURWBXZPURRPLTE-UHFFFAOYSA-N
XLogP6.45
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.46
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[(4-fluorobenzoyl)amino]-4-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]benzoate
CID 67342396
tert-butyl 2-[(4-fluorobenzoyl)amino]-4-[(E)-2-(3-methoxyphenyl)ethenyl]benzoate
CID 67342390
tert-butyl 2-benzamido-4-(1-benzofuran-5-yloxy)benzoate
CID 91609775
dimethyl 2-[(2-oxochromene-3-carbonyl)amino]benzene-1,4-dicarboxylate
CID 1033949
tert-butyl 4-(2-fluorophenyl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoate
CID 58508706
tert-butyl 4-[[2-[4-(1-benzofuran-2-yl)anilino]-1-(4-tert-butylphenyl)-2-oxoethyl]-methylamino]benzoate
CID 67486636
tert-butyl 4-(2,4-difluorophenyl)-2-[(5-pyrrol-1-ylpyridine-3-carbonyl)amino]benzoate
CID 140539357
N-(2-methoxyphenyl)-4-(2-oxochromen-3-yl)benzamide
CID 2958481
tert-butyl 1-benzofuran-2-carboxylate
CID 63896278
tert-butyl 2-[[4-(dimethylamino)-2-methylbenzoyl]amino]-4-phenylbenzoate
CID 58508662
methyl 2-[(4-aminobenzoyl)amino]-4-fluorobenzoate
CID 43713810
4-(2-oxochromen-3-yl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 4243574

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-benzofuran-2-yl)-2-[(4-fluorobenzoyl)amino]benzoate?
The IUPAC name of tert-butyl 4-(1-benzofuran-2-yl)-2-[(4-fluorobenzoyl)amino]benzoate (CID 67344778) is tert-butyl 4-(1-benzofuran-2-yl)-2-[(4-fluorobenzoyl)amino]benzoate.
What is the SMILES notation for tert-butyl 4-(1-benzofuran-2-yl)-2-[(4-fluorobenzoyl)amino]benzoate?
The canonical SMILES for tert-butyl 4-(1-benzofuran-2-yl)-2-[(4-fluorobenzoyl)amino]benzoate is CC(C)(C)OC(=O)c1ccc(-c2cc3ccccc3o2)cc1NC(=O)c1ccc(F)cc1.
What is the InChIKey of tert-butyl 4-(1-benzofuran-2-yl)-2-[(4-fluorobenzoyl)amino]benzoate?
The InChIKey is URWBXZPURRPLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FNO4/c1-26(2,3)32-25(30)20-13-10-18(23-15-17-6-4-5-7-22(17)31-23)14-21(20)28-24(29)16-8-11-19(27)12-9-16/h4-15H,1-3H3,(H,28,29).
What are the key properties of tert-butyl 4-(1-benzofuran-2-yl)-2-[(4-fluorobenzoyl)amino]benzoate?
tert-butyl 4-(1-benzofuran-2-yl)-2-[(4-fluorobenzoyl)amino]benzoate has a molecular weight of 431.46 g/mol, XLogP of 6.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-benzofuran-2-yl)-2-[(4-fluorobenzoyl)amino]benzoate is sourced from PubChem (CID 67344778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).