(3-amino-1-benzofuran-2-yl)-(2-bromophenyl)methanone

C15H10BrNO2 — CID 16770285

IUPAC(3-amino-1-benzofuran-2-yl)-(2-bromophenyl)methanone
SMILESNc1c(C(=O)c2ccccc2Br)oc2ccccc12
InChIInChI=1S/C15H10BrNO2/c16-11-7-3-1-5-9(11)14(18)15-13(17)10-6-2-4-8-12(10)19-15/h1-8H,17H2
InChIKeyVQQVLRMKKUBRGZ-UHFFFAOYSA-N
MW316.15 g/mol
LogP4.01
Rot. Bonds2

About (3-amino-1-benzofuran-2-yl)-(2-bromophenyl)methanone

(3-amino-1-benzofuran-2-yl)-(2-bromophenyl)methanone (PubChem CID 16770285) has the molecular formula C15H10BrNO2 and a molecular weight of 316.15 g/mol. Its IUPAC name is (3-amino-1-benzofuran-2-yl)-(2-bromophenyl)methanone.

Molecular Properties

Compound Name(3-amino-1-benzofuran-2-yl)-(2-bromophenyl)methanone
PubChem CID16770285
Molecular FormulaC15H10BrNO2
Molecular Weight316.15 g/mol
Exact Mass314.99
IUPAC Name(3-amino-1-benzofuran-2-yl)-(2-bromophenyl)methanone
SMILESNc1c(C(=O)c2ccccc2Br)oc2ccccc12
InChIInChI=1S/C15H10BrNO2/c16-11-7-3-1-5-9(11)14(18)15-13(17)10-6-2-4-8-12(10)19-15/h1-8H,17H2
InChIKeyVQQVLRMKKUBRGZ-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-1-benzofuran-2-yl)-(2-bromophenyl)methanone?
The IUPAC name of (3-amino-1-benzofuran-2-yl)-(2-bromophenyl)methanone (CID 16770285) is (3-amino-1-benzofuran-2-yl)-(2-bromophenyl)methanone.
What is the SMILES notation for (3-amino-1-benzofuran-2-yl)-(2-bromophenyl)methanone?
The canonical SMILES for (3-amino-1-benzofuran-2-yl)-(2-bromophenyl)methanone is Nc1c(C(=O)c2ccccc2Br)oc2ccccc12.
What is the InChIKey of (3-amino-1-benzofuran-2-yl)-(2-bromophenyl)methanone?
The InChIKey is VQQVLRMKKUBRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO2/c16-11-7-3-1-5-9(11)14(18)15-13(17)10-6-2-4-8-12(10)19-15/h1-8H,17H2.
What are the key properties of (3-amino-1-benzofuran-2-yl)-(2-bromophenyl)methanone?
(3-amino-1-benzofuran-2-yl)-(2-bromophenyl)methanone 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-1-benzofuran-2-yl)-(2-bromophenyl)methanone is sourced from PubChem (CID 16770285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).