N-tert-butyl-3-oxo-1-(2-phenylanilino)-2-benzofuran-1-carboxamide

C25H24N2O3 — CID 175516713

IUPACN-tert-butyl-3-oxo-1-(2-phenylanilino)-2-benzofuran-1-carboxamide
SMILESCC(C)(C)NC(=O)C1(Nc2ccccc2-c2ccccc2)OC(=O)c2ccccc21
InChIInChI=1S/C25H24N2O3/c1-24(2,3)27-23(29)25(20-15-9-7-14-19(20)22(28)30-25)26-21-16-10-8-13-18(21)17-11-5-4-6-12-17/h4-16,26H,1-3H3,(H,27,29)
InChIKeyXEXRSBQSQDJCQT-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.70
Rot. Bonds4

About N-tert-butyl-3-oxo-1-(2-phenylanilino)-2-benzofuran-1-carboxamide

N-tert-butyl-3-oxo-1-(2-phenylanilino)-2-benzofuran-1-carboxamide (PubChem CID 175516713) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-tert-butyl-3-oxo-1-(2-phenylanilino)-2-benzofuran-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-oxo-1-(2-phenylanilino)-2-benzofuran-1-carboxamide
PubChem CID175516713
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC NameN-tert-butyl-3-oxo-1-(2-phenylanilino)-2-benzofuran-1-carboxamide
SMILESCC(C)(C)NC(=O)C1(Nc2ccccc2-c2ccccc2)OC(=O)c2ccccc21
InChIInChI=1S/C25H24N2O3/c1-24(2,3)27-23(29)25(20-15-9-7-14-19(20)22(28)30-25)26-21-16-10-8-13-18(21)17-11-5-4-6-12-17/h4-16,26H,1-3H3,(H,27,29)
InChIKeyXEXRSBQSQDJCQT-UHFFFAOYSA-N
XLogP4.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-oxo-1-(2-phenylanilino)-2-benzofuran-1-carboxamide?
The IUPAC name of N-tert-butyl-3-oxo-1-(2-phenylanilino)-2-benzofuran-1-carboxamide (CID 175516713) is N-tert-butyl-3-oxo-1-(2-phenylanilino)-2-benzofuran-1-carboxamide.
What is the SMILES notation for N-tert-butyl-3-oxo-1-(2-phenylanilino)-2-benzofuran-1-carboxamide?
The canonical SMILES for N-tert-butyl-3-oxo-1-(2-phenylanilino)-2-benzofuran-1-carboxamide is CC(C)(C)NC(=O)C1(Nc2ccccc2-c2ccccc2)OC(=O)c2ccccc21.
What is the InChIKey of N-tert-butyl-3-oxo-1-(2-phenylanilino)-2-benzofuran-1-carboxamide?
The InChIKey is XEXRSBQSQDJCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-24(2,3)27-23(29)25(20-15-9-7-14-19(20)22(28)30-25)26-21-16-10-8-13-18(21)17-11-5-4-6-12-17/h4-16,26H,1-3H3,(H,27,29).
What are the key properties of N-tert-butyl-3-oxo-1-(2-phenylanilino)-2-benzofuran-1-carboxamide?
N-tert-butyl-3-oxo-1-(2-phenylanilino)-2-benzofuran-1-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-oxo-1-(2-phenylanilino)-2-benzofuran-1-carboxamide is sourced from PubChem (CID 175516713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).