[3-amino-6-(3-chlorophenyl)-1-benzofuran-2-yl]-(2,4-dimethylphenyl)methanone

C23H18ClNO2 — CID 59691982

IUPAC[3-amino-6-(3-chlorophenyl)-1-benzofuran-2-yl]-(2,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)c2oc3cc(-c4cccc(Cl)c4)ccc3c2N)c(C)c1
InChIInChI=1S/C23H18ClNO2/c1-13-6-8-18(14(2)10-13)22(26)23-21(25)19-9-7-16(12-20(19)27-23)15-4-3-5-17(24)11-15/h3-12H,25H2,1-2H3
InChIKeyALGYRGCLEAEVLG-UHFFFAOYSA-N
MW375.86 g/mol
LogP6.18
Rot. Bonds3

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

[3-amino-6-(3-chlorophenyl)-1-benzofuran-2-yl]-(2,4-dimethylphenyl)methanone (PubChem CID 59691982) has the molecular formula C23H18ClNO2 and a molecular weight of 375.86 g/mol. Its IUPAC name is [3-amino-6-(3-chlorophenyl)-1-benzofuran-2-yl]-(2,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name[3-amino-6-(3-chlorophenyl)-1-benzofuran-2-yl]-(2,4-dimethylphenyl)methanone
PubChem CID59691982
Molecular FormulaC23H18ClNO2
Molecular Weight375.86 g/mol
Exact Mass375.10
IUPAC Name[3-amino-6-(3-chlorophenyl)-1-benzofuran-2-yl]-(2,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)c2oc3cc(-c4cccc(Cl)c4)ccc3c2N)c(C)c1
InChIInChI=1S/C23H18ClNO2/c1-13-6-8-18(14(2)10-13)22(26)23-21(25)19-9-7-16(12-20(19)27-23)15-4-3-5-17(24)11-15/h3-12H,25H2,1-2H3
InChIKeyALGYRGCLEAEVLG-UHFFFAOYSA-N
XLogP6.18
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.86
LogP ≤ 56.18
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-chlorophenyl)-1-benzofuran-2-yl]-(2,4-dimethylphenyl)methanone?
The IUPAC name of [3-amino-6-(3-chlorophenyl)-1-benzofuran-2-yl]-(2,4-dimethylphenyl)methanone (CID 59691982) is [3-amino-6-(3-chlorophenyl)-1-benzofuran-2-yl]-(2,4-dimethylphenyl)methanone.
What is the SMILES notation for [3-amino-6-(3-chlorophenyl)-1-benzofuran-2-yl]-(2,4-dimethylphenyl)methanone?
The canonical SMILES for [3-amino-6-(3-chlorophenyl)-1-benzofuran-2-yl]-(2,4-dimethylphenyl)methanone is Cc1ccc(C(=O)c2oc3cc(-c4cccc(Cl)c4)ccc3c2N)c(C)c1.
What is the InChIKey of [3-amino-6-(3-chlorophenyl)-1-benzofuran-2-yl]-(2,4-dimethylphenyl)methanone?
The InChIKey is ALGYRGCLEAEVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO2/c1-13-6-8-18(14(2)10-13)22(26)23-21(25)19-9-7-16(12-20(19)27-23)15-4-3-5-17(24)11-15/h3-12H,25H2,1-2H3.
What are the key properties of [3-amino-6-(3-chlorophenyl)-1-benzofuran-2-yl]-(2,4-dimethylphenyl)methanone?
[3-amino-6-(3-chlorophenyl)-1-benzofuran-2-yl]-(2,4-dimethylphenyl)methanone has a molecular weight of 375.86 g/mol, XLogP of 6.18, 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-chlorophenyl)-1-benzofuran-2-yl]-(2,4-dimethylphenyl)methanone is sourced from PubChem (CID 59691982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).