(3-amino-1-benzofuran-2-yl)-phenylmethanone

C15H11NO2 — CID 854225

IUPAC(3-amino-1-benzofuran-2-yl)-phenylmethanone
SMILESNc1c(C(=O)c2ccccc2)oc2ccccc12
InChIInChI=1S/C15H11NO2/c16-13-11-8-4-5-9-12(11)18-15(13)14(17)10-6-2-1-3-7-10/h1-9H,16H2
InChIKeyPZLZVWMURFZVHC-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.25
Rot. Bonds2

About (3-amino-1-benzofuran-2-yl)-phenylmethanone

(3-amino-1-benzofuran-2-yl)-phenylmethanone (PubChem CID 854225) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is (3-amino-1-benzofuran-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-amino-1-benzofuran-2-yl)-phenylmethanone
PubChem CID854225
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name(3-amino-1-benzofuran-2-yl)-phenylmethanone
SMILESNc1c(C(=O)c2ccccc2)oc2ccccc12
InChIInChI=1S/C15H11NO2/c16-13-11-8-4-5-9-12(11)18-15(13)14(17)10-6-2-1-3-7-10/h1-9H,16H2
InChIKeyPZLZVWMURFZVHC-UHFFFAOYSA-N
XLogP3.25
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-amino-1-benzofuran-2-yl)-phenylmethanone?
The IUPAC name of (3-amino-1-benzofuran-2-yl)-phenylmethanone (CID 854225) is (3-amino-1-benzofuran-2-yl)-phenylmethanone.
What is the SMILES notation for (3-amino-1-benzofuran-2-yl)-phenylmethanone?
The canonical SMILES for (3-amino-1-benzofuran-2-yl)-phenylmethanone is Nc1c(C(=O)c2ccccc2)oc2ccccc12.
What is the InChIKey of (3-amino-1-benzofuran-2-yl)-phenylmethanone?
The InChIKey is PZLZVWMURFZVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c16-13-11-8-4-5-9-12(11)18-15(13)14(17)10-6-2-1-3-7-10/h1-9H,16H2.
What are the key properties of (3-amino-1-benzofuran-2-yl)-phenylmethanone?
(3-amino-1-benzofuran-2-yl)-phenylmethanone has a molecular weight of 237.26 g/mol, XLogP of 3.25, 2 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)-phenylmethanone is sourced from PubChem (CID 854225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).