(3-amino-5-chloro-1-benzofuran-2-yl)-(4-fluorophenyl)methanone

C15H9ClFNO2 — CID 625693

IUPAC(3-amino-5-chloro-1-benzofuran-2-yl)-(4-fluorophenyl)methanone
SMILESNc1c(C(=O)c2ccc(F)cc2)oc2ccc(Cl)cc12
InChIInChI=1S/C15H9ClFNO2/c16-9-3-6-12-11(7-9)13(18)15(20-12)14(19)8-1-4-10(17)5-2-8/h1-7H,18H2
InChIKeyCSYBJMOGFOHEIK-UHFFFAOYSA-N
MW289.69 g/mol
LogP4.04
Rot. Bonds2

About (3-amino-5-chloro-1-benzofuran-2-yl)-(4-fluorophenyl)methanone

(3-amino-5-chloro-1-benzofuran-2-yl)-(4-fluorophenyl)methanone (PubChem CID 625693) has the molecular formula C15H9ClFNO2 and a molecular weight of 289.69 g/mol. Its IUPAC name is (3-amino-5-chloro-1-benzofuran-2-yl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(3-amino-5-chloro-1-benzofuran-2-yl)-(4-fluorophenyl)methanone
PubChem CID625693
Molecular FormulaC15H9ClFNO2
Molecular Weight289.69 g/mol
Exact Mass289.03
IUPAC Name(3-amino-5-chloro-1-benzofuran-2-yl)-(4-fluorophenyl)methanone
SMILESNc1c(C(=O)c2ccc(F)cc2)oc2ccc(Cl)cc12
InChIInChI=1S/C15H9ClFNO2/c16-9-3-6-12-11(7-9)13(18)15(20-12)14(19)8-1-4-10(17)5-2-8/h1-7H,18H2
InChIKeyCSYBJMOGFOHEIK-UHFFFAOYSA-N
XLogP4.04
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.69
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-amino-5-chloro-1-benzofuran-2-yl)-(4-fluorophenyl)methanone?
The IUPAC name of (3-amino-5-chloro-1-benzofuran-2-yl)-(4-fluorophenyl)methanone (CID 625693) is (3-amino-5-chloro-1-benzofuran-2-yl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (3-amino-5-chloro-1-benzofuran-2-yl)-(4-fluorophenyl)methanone?
The canonical SMILES for (3-amino-5-chloro-1-benzofuran-2-yl)-(4-fluorophenyl)methanone is Nc1c(C(=O)c2ccc(F)cc2)oc2ccc(Cl)cc12.
What is the InChIKey of (3-amino-5-chloro-1-benzofuran-2-yl)-(4-fluorophenyl)methanone?
The InChIKey is CSYBJMOGFOHEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFNO2/c16-9-3-6-12-11(7-9)13(18)15(20-12)14(19)8-1-4-10(17)5-2-8/h1-7H,18H2.
What are the key properties of (3-amino-5-chloro-1-benzofuran-2-yl)-(4-fluorophenyl)methanone?
(3-amino-5-chloro-1-benzofuran-2-yl)-(4-fluorophenyl)methanone has a molecular weight of 289.69 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-chloro-1-benzofuran-2-yl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 625693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).