[3-amino-6-(3-fluorophenyl)-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone

C21H12Cl2FNO2 — CID 59691870

IUPAC[3-amino-6-(3-fluorophenyl)-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone
SMILESNc1c(C(=O)c2ccc(Cl)cc2Cl)oc2cc(-c3cccc(F)c3)ccc12
InChIInChI=1S/C21H12Cl2FNO2/c22-13-5-7-15(17(23)10-13)20(26)21-19(25)16-6-4-12(9-18(16)27-21)11-2-1-3-14(24)8-11/h1-10H,25H2
InChIKeyYDRWTVJMVZGKIX-UHFFFAOYSA-N
MW400.24 g/mol
LogP6.36
Rot. Bonds3

About [3-amino-6-(3-fluorophenyl)-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone

[3-amino-6-(3-fluorophenyl)-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone (PubChem CID 59691870) has the molecular formula C21H12Cl2FNO2 and a molecular weight of 400.24 g/mol. Its IUPAC name is [3-amino-6-(3-fluorophenyl)-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name[3-amino-6-(3-fluorophenyl)-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone
PubChem CID59691870
Molecular FormulaC21H12Cl2FNO2
Molecular Weight400.24 g/mol
Exact Mass399.02
IUPAC Name[3-amino-6-(3-fluorophenyl)-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone
SMILESNc1c(C(=O)c2ccc(Cl)cc2Cl)oc2cc(-c3cccc(F)c3)ccc12
InChIInChI=1S/C21H12Cl2FNO2/c22-13-5-7-15(17(23)10-13)20(26)21-19(25)16-6-4-12(9-18(16)27-21)11-2-1-3-14(24)8-11/h1-10H,25H2
InChIKeyYDRWTVJMVZGKIX-UHFFFAOYSA-N
XLogP6.36
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.24
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-amino-6-(3-fluorophenyl)-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone?
The IUPAC name of [3-amino-6-(3-fluorophenyl)-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone (CID 59691870) is [3-amino-6-(3-fluorophenyl)-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone.
What is the SMILES notation for [3-amino-6-(3-fluorophenyl)-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone?
The canonical SMILES for [3-amino-6-(3-fluorophenyl)-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone is Nc1c(C(=O)c2ccc(Cl)cc2Cl)oc2cc(-c3cccc(F)c3)ccc12.
What is the InChIKey of [3-amino-6-(3-fluorophenyl)-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone?
The InChIKey is YDRWTVJMVZGKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12Cl2FNO2/c22-13-5-7-15(17(23)10-13)20(26)21-19(25)16-6-4-12(9-18(16)27-21)11-2-1-3-14(24)8-11/h1-10H,25H2.
What are the key properties of [3-amino-6-(3-fluorophenyl)-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone?
[3-amino-6-(3-fluorophenyl)-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone has a molecular weight of 400.24 g/mol, XLogP of 6.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-(3-fluorophenyl)-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone is sourced from PubChem (CID 59691870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).