(3-amino-1-benzofuran-2-yl)-(4-phenylphenyl)methanone

C21H15NO2 — CID 10710305

IUPAC(3-amino-1-benzofuran-2-yl)-(4-phenylphenyl)methanone
SMILESNc1c(C(=O)c2ccc(-c3ccccc3)cc2)oc2ccccc12
InChIInChI=1S/C21H15NO2/c22-19-17-8-4-5-9-18(17)24-21(19)20(23)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,22H2
InChIKeySEIYYXJTYZUGHJ-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.91
Rot. Bonds3

About (3-amino-1-benzofuran-2-yl)-(4-phenylphenyl)methanone

(3-amino-1-benzofuran-2-yl)-(4-phenylphenyl)methanone (PubChem CID 10710305) has the molecular formula C21H15NO2 and a molecular weight of 313.36 g/mol. Its IUPAC name is (3-amino-1-benzofuran-2-yl)-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name(3-amino-1-benzofuran-2-yl)-(4-phenylphenyl)methanone
PubChem CID10710305
Molecular FormulaC21H15NO2
Molecular Weight313.36 g/mol
Exact Mass313.11
IUPAC Name(3-amino-1-benzofuran-2-yl)-(4-phenylphenyl)methanone
SMILESNc1c(C(=O)c2ccc(-c3ccccc3)cc2)oc2ccccc12
InChIInChI=1S/C21H15NO2/c22-19-17-8-4-5-9-18(17)24-21(19)20(23)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,22H2
InChIKeySEIYYXJTYZUGHJ-UHFFFAOYSA-N
XLogP4.91
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-amino-1-benzofuran-2-yl)-(4-phenylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-Amino-5-bromobenzofuran-2-yl)(phenyl)methanone
CID 651586
N-(2-Benzoyl-3-benzofuranyl)acetamide
CID 616884
(3-Amino-1-benzofuran-2-YL)(4-methoxyphenyl)methanone
CID 693230
(3-Amino-1-benzofuran-2-yl)(4-methylphenyl)methanone
CID 619566
Ethyl 3-aminobenzofuran-2-carboxylate
CID 2063537
(3-Amino-1-benzofuran-2-yl)(4-chlorophenyl)methanone
CID 623089
(3-Amino-1-benzofuran-2-YL)(4-bromophenyl)methanone
CID 2916909
3-Aminobenzofuran-2-carboxamide
CID 600546
(3-Amino-1-benzofuran-2-yl)(2-furyl)methanone
CID 2398025
N-[2-(4-Fluorobenzoyl)-1-benzofuran-3-yl]acetamide
CID 620333
(3-Amino-5-methoxy-benzofuran-2-yl)-phenyl-methanone
CID 698980
N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]acetamide
CID 906598

Frequently Asked Questions

What is the IUPAC name of (3-amino-1-benzofuran-2-yl)-(4-phenylphenyl)methanone?
The IUPAC name of (3-amino-1-benzofuran-2-yl)-(4-phenylphenyl)methanone (CID 10710305) is (3-amino-1-benzofuran-2-yl)-(4-phenylphenyl)methanone.
What is the SMILES notation for (3-amino-1-benzofuran-2-yl)-(4-phenylphenyl)methanone?
The canonical SMILES for (3-amino-1-benzofuran-2-yl)-(4-phenylphenyl)methanone is Nc1c(C(=O)c2ccc(-c3ccccc3)cc2)oc2ccccc12.
What is the InChIKey of (3-amino-1-benzofuran-2-yl)-(4-phenylphenyl)methanone?
The InChIKey is SEIYYXJTYZUGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO2/c22-19-17-8-4-5-9-18(17)24-21(19)20(23)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,22H2.
What are the key properties of (3-amino-1-benzofuran-2-yl)-(4-phenylphenyl)methanone?
(3-amino-1-benzofuran-2-yl)-(4-phenylphenyl)methanone has a molecular weight of 313.36 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1-benzofuran-2-yl)-(4-phenylphenyl)methanone is sourced from PubChem (CID 10710305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).