1-(4-bromoanilino)-3-oxo-N-(2-phenylethyl)-2-benzofuran-1-carboxamide

C23H19BrN2O3 — CID 170783537

IUPAC1-(4-bromoanilino)-3-oxo-N-(2-phenylethyl)-2-benzofuran-1-carboxamide
SMILESO=C1OC(Nc2ccc(Br)cc2)(C(=O)NCCc2ccccc2)c2ccccc21
InChIInChI=1S/C23H19BrN2O3/c24-17-10-12-18(13-11-17)26-23(20-9-5-4-8-19(20)21(27)29-23)22(28)25-15-14-16-6-2-1-3-7-16/h1-13,26H,14-15H2,(H,25,28)
InChIKeyGUZCBYWZWVZNAQ-UHFFFAOYSA-N
MW451.32 g/mol
LogP4.24
Rot. Bonds6

About 1-(4-bromoanilino)-3-oxo-N-(2-phenylethyl)-2-benzofuran-1-carboxamide

1-(4-bromoanilino)-3-oxo-N-(2-phenylethyl)-2-benzofuran-1-carboxamide (PubChem CID 170783537) has the molecular formula C23H19BrN2O3 and a molecular weight of 451.32 g/mol. Its IUPAC name is 1-(4-bromoanilino)-3-oxo-N-(2-phenylethyl)-2-benzofuran-1-carboxamide.

Molecular Properties

Compound Name1-(4-bromoanilino)-3-oxo-N-(2-phenylethyl)-2-benzofuran-1-carboxamide
PubChem CID170783537
Molecular FormulaC23H19BrN2O3
Molecular Weight451.32 g/mol
Exact Mass450.06
IUPAC Name1-(4-bromoanilino)-3-oxo-N-(2-phenylethyl)-2-benzofuran-1-carboxamide
SMILESO=C1OC(Nc2ccc(Br)cc2)(C(=O)NCCc2ccccc2)c2ccccc21
InChIInChI=1S/C23H19BrN2O3/c24-17-10-12-18(13-11-17)26-23(20-9-5-4-8-19(20)21(27)29-23)22(28)25-15-14-16-6-2-1-3-7-16/h1-13,26H,14-15H2,(H,25,28)
InChIKeyGUZCBYWZWVZNAQ-UHFFFAOYSA-N
XLogP4.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.32
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromoanilino)-3-oxo-N-(2-phenylethyl)-2-benzofuran-1-carboxamide?
The IUPAC name of 1-(4-bromoanilino)-3-oxo-N-(2-phenylethyl)-2-benzofuran-1-carboxamide (CID 170783537) is 1-(4-bromoanilino)-3-oxo-N-(2-phenylethyl)-2-benzofuran-1-carboxamide.
What is the SMILES notation for 1-(4-bromoanilino)-3-oxo-N-(2-phenylethyl)-2-benzofuran-1-carboxamide?
The canonical SMILES for 1-(4-bromoanilino)-3-oxo-N-(2-phenylethyl)-2-benzofuran-1-carboxamide is O=C1OC(Nc2ccc(Br)cc2)(C(=O)NCCc2ccccc2)c2ccccc21.
What is the InChIKey of 1-(4-bromoanilino)-3-oxo-N-(2-phenylethyl)-2-benzofuran-1-carboxamide?
The InChIKey is GUZCBYWZWVZNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN2O3/c24-17-10-12-18(13-11-17)26-23(20-9-5-4-8-19(20)21(27)29-23)22(28)25-15-14-16-6-2-1-3-7-16/h1-13,26H,14-15H2,(H,25,28).
What are the key properties of 1-(4-bromoanilino)-3-oxo-N-(2-phenylethyl)-2-benzofuran-1-carboxamide?
1-(4-bromoanilino)-3-oxo-N-(2-phenylethyl)-2-benzofuran-1-carboxamide has a molecular weight of 451.32 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromoanilino)-3-oxo-N-(2-phenylethyl)-2-benzofuran-1-carboxamide is sourced from PubChem (CID 170783537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).