(3-amino-5-bromo-1-benzofuran-2-yl)-phenylmethanone

C15H10BrNO2 — CID 651586

IUPAC(3-amino-5-bromo-1-benzofuran-2-yl)-phenylmethanone
SMILESNc1c(C(=O)c2ccccc2)oc2ccc(Br)cc12
InChIInChI=1S/C15H10BrNO2/c16-10-6-7-12-11(8-10)13(17)15(19-12)14(18)9-4-2-1-3-5-9/h1-8H,17H2
InChIKeySBFAYONAJFSEPC-UHFFFAOYSA-N
MW316.15 g/mol
LogP4.01
Rot. Bonds2

About (3-amino-5-bromo-1-benzofuran-2-yl)-phenylmethanone

(3-amino-5-bromo-1-benzofuran-2-yl)-phenylmethanone (PubChem CID 651586) has the molecular formula C15H10BrNO2 and a molecular weight of 316.15 g/mol. Its IUPAC name is (3-amino-5-bromo-1-benzofuran-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-amino-5-bromo-1-benzofuran-2-yl)-phenylmethanone
PubChem CID651586
Molecular FormulaC15H10BrNO2
Molecular Weight316.15 g/mol
Exact Mass314.99
IUPAC Name(3-amino-5-bromo-1-benzofuran-2-yl)-phenylmethanone
SMILESNc1c(C(=O)c2ccccc2)oc2ccc(Br)cc12
InChIInChI=1S/C15H10BrNO2/c16-10-6-7-12-11(8-10)13(17)15(19-12)14(18)9-4-2-1-3-5-9/h1-8H,17H2
InChIKeySBFAYONAJFSEPC-UHFFFAOYSA-N
XLogP4.01
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-amino-5-bromo-1-benzofuran-2-yl)-phenylmethanone?
The IUPAC name of (3-amino-5-bromo-1-benzofuran-2-yl)-phenylmethanone (CID 651586) is (3-amino-5-bromo-1-benzofuran-2-yl)-phenylmethanone.
What is the SMILES notation for (3-amino-5-bromo-1-benzofuran-2-yl)-phenylmethanone?
The canonical SMILES for (3-amino-5-bromo-1-benzofuran-2-yl)-phenylmethanone is Nc1c(C(=O)c2ccccc2)oc2ccc(Br)cc12.
What is the InChIKey of (3-amino-5-bromo-1-benzofuran-2-yl)-phenylmethanone?
The InChIKey is SBFAYONAJFSEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO2/c16-10-6-7-12-11(8-10)13(17)15(19-12)14(18)9-4-2-1-3-5-9/h1-8H,17H2.
What are the key properties of (3-amino-5-bromo-1-benzofuran-2-yl)-phenylmethanone?
(3-amino-5-bromo-1-benzofuran-2-yl)-phenylmethanone has a molecular weight of 316.15 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-bromo-1-benzofuran-2-yl)-phenylmethanone is sourced from PubChem (CID 651586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).