N-[2-amino-5-(1-benzofuran-2-yl)phenyl]benzamide

C21H16N2O2 — CID 46887475

IUPACN-[2-amino-5-(1-benzofuran-2-yl)phenyl]benzamide
SMILESNc1ccc(-c2cc3ccccc3o2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C21H16N2O2/c22-17-11-10-16(20-13-15-8-4-5-9-19(15)25-20)12-18(17)23-21(24)14-6-2-1-3-7-14/h1-13H,22H2,(H,23,24)
InChIKeyABLQYLIPCDUOQX-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.93
Rot. Bonds3

About N-[2-amino-5-(1-benzofuran-2-yl)phenyl]benzamide

N-[2-amino-5-(1-benzofuran-2-yl)phenyl]benzamide (PubChem CID 46887475) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[2-amino-5-(1-benzofuran-2-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[2-amino-5-(1-benzofuran-2-yl)phenyl]benzamide
PubChem CID46887475
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC NameN-[2-amino-5-(1-benzofuran-2-yl)phenyl]benzamide
SMILESNc1ccc(-c2cc3ccccc3o2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C21H16N2O2/c22-17-11-10-16(20-13-15-8-4-5-9-19(15)25-20)12-18(17)23-21(24)14-6-2-1-3-7-14/h1-13H,22H2,(H,23,24)
InChIKeyABLQYLIPCDUOQX-UHFFFAOYSA-N
XLogP4.93
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[2-amino-5-(1-benzofuran-2-yl)phenyl]benzamide?
The IUPAC name of N-[2-amino-5-(1-benzofuran-2-yl)phenyl]benzamide (CID 46887475) is N-[2-amino-5-(1-benzofuran-2-yl)phenyl]benzamide.
What is the SMILES notation for N-[2-amino-5-(1-benzofuran-2-yl)phenyl]benzamide?
The canonical SMILES for N-[2-amino-5-(1-benzofuran-2-yl)phenyl]benzamide is Nc1ccc(-c2cc3ccccc3o2)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-[2-amino-5-(1-benzofuran-2-yl)phenyl]benzamide?
The InChIKey is ABLQYLIPCDUOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c22-17-11-10-16(20-13-15-8-4-5-9-19(15)25-20)12-18(17)23-21(24)14-6-2-1-3-7-14/h1-13H,22H2,(H,23,24).
What are the key properties of N-[2-amino-5-(1-benzofuran-2-yl)phenyl]benzamide?
N-[2-amino-5-(1-benzofuran-2-yl)phenyl]benzamide has a molecular weight of 328.37 g/mol, XLogP of 4.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(1-benzofuran-2-yl)phenyl]benzamide is sourced from PubChem (CID 46887475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).