[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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Related Compounds

(3-Amino-1-benzofuran-2-yl)(4-methylphenyl)methanone
CID 619566
(3-Amino-1-benzofuran-2-yl)(4-chlorophenyl)methanone
CID 623089
(3-Amino-1-benzofuran-2-yl)(4-fluorophenyl)methanone
CID 620323
(3-Amino-5-chloro-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone
CID 7013439
(3-Amino-5-chloro-1-benzofuran-2-yl)(4-fluorophenyl)methanone
CID 625693
(3-Amino-5-chloro-1-benzofuran-2-yl)(phenyl)methanone
CID 623090
(3-Amino-1-benzofuran-2-YL)((1,1'-biphenyl)-4-YL)methanone
CID 10710305
(3-Amino-1-benzofuran-2-YL)(2',4'-difluoro(1,1'-biphenyl)-4-YL)methanone
CID 10831629
(3-Amino-1-benzofuran-2-YL)(2,4-dichlorophenyl)methanone
CID 16778680
N-(2-benzoyl-1-benzofuran-3-yl)-4-chlorobenzamide
CID 4076638
(3-Amino-1-benzofuran-2-yl)-(3,4-difluorophenyl)methanone
CID 2449150
(3-Amino-1-benzofuran-2-yl)-(2,5-difluorophenyl)methanone
CID 2475040

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).