3-amino-N-(4-chlorophenyl)-1-benzofuran-2-carboxamide

C15H11ClN2O2 — CID 1083209

IUPAC3-amino-N-(4-chlorophenyl)-1-benzofuran-2-carboxamide
SMILESNc1c(C(=O)Nc2ccc(Cl)cc2)oc2ccccc12
InChIInChI=1S/C15H11ClN2O2/c16-9-5-7-10(8-6-9)18-15(19)14-13(17)11-3-1-2-4-12(11)20-14/h1-8H,17H2,(H,18,19)
InChIKeyJNELGAWRFWUJKS-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.92
Rot. Bonds2

About 3-amino-N-(4-chlorophenyl)-1-benzofuran-2-carboxamide

3-amino-N-(4-chlorophenyl)-1-benzofuran-2-carboxamide (PubChem CID 1083209) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 3-amino-N-(4-chlorophenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-chlorophenyl)-1-benzofuran-2-carboxamide
PubChem CID1083209
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name3-amino-N-(4-chlorophenyl)-1-benzofuran-2-carboxamide
SMILESNc1c(C(=O)Nc2ccc(Cl)cc2)oc2ccccc12
InChIInChI=1S/C15H11ClN2O2/c16-9-5-7-10(8-6-9)18-15(19)14-13(17)11-3-1-2-4-12(11)20-14/h1-8H,17H2,(H,18,19)
InChIKeyJNELGAWRFWUJKS-UHFFFAOYSA-N
XLogP3.92
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-chlorophenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-amino-N-(4-chlorophenyl)-1-benzofuran-2-carboxamide (CID 1083209) is 3-amino-N-(4-chlorophenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-chlorophenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-chlorophenyl)-1-benzofuran-2-carboxamide is Nc1c(C(=O)Nc2ccc(Cl)cc2)oc2ccccc12.
What is the InChIKey of 3-amino-N-(4-chlorophenyl)-1-benzofuran-2-carboxamide?
The InChIKey is JNELGAWRFWUJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c16-9-5-7-10(8-6-9)18-15(19)14-13(17)11-3-1-2-4-12(11)20-14/h1-8H,17H2,(H,18,19).
What are the key properties of 3-amino-N-(4-chlorophenyl)-1-benzofuran-2-carboxamide?
3-amino-N-(4-chlorophenyl)-1-benzofuran-2-carboxamide has a molecular weight of 286.72 g/mol, XLogP of 3.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-chlorophenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 1083209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).