N-(4-amino-2-methoxyphenyl)-1-benzofuran-2-carboxamide

C16H14N2O3 — CID 675397

IUPACN-(4-amino-2-methoxyphenyl)-1-benzofuran-2-carboxamide
SMILESCOc1cc(N)ccc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C16H14N2O3/c1-20-14-9-11(17)6-7-12(14)18-16(19)15-8-10-4-2-3-5-13(10)21-15/h2-9H,17H2,1H3,(H,18,19)
InChIKeyKONPKGRNCLCEDI-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.28
Rot. Bonds3

About N-(4-amino-2-methoxyphenyl)-1-benzofuran-2-carboxamide

N-(4-amino-2-methoxyphenyl)-1-benzofuran-2-carboxamide (PubChem CID 675397) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-1-benzofuran-2-carboxamide
PubChem CID675397
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC NameN-(4-amino-2-methoxyphenyl)-1-benzofuran-2-carboxamide
SMILESCOc1cc(N)ccc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C16H14N2O3/c1-20-14-9-11(17)6-7-12(14)18-16(19)15-8-10-4-2-3-5-13(10)21-15/h2-9H,17H2,1H3,(H,18,19)
InChIKeyKONPKGRNCLCEDI-UHFFFAOYSA-N
XLogP3.28
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-1-benzofuran-2-carboxamide (CID 675397) is N-(4-amino-2-methoxyphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-1-benzofuran-2-carboxamide is COc1cc(N)ccc1NC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is KONPKGRNCLCEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-20-14-9-11(17)6-7-12(14)18-16(19)15-8-10-4-2-3-5-13(10)21-15/h2-9H,17H2,1H3,(H,18,19).
What are the key properties of N-(4-amino-2-methoxyphenyl)-1-benzofuran-2-carboxamide?
N-(4-amino-2-methoxyphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 282.30 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 675397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).