(3-amino-7-methoxy-1-benzofuran-2-yl)-[4-(2,4-difluorophenyl)phenyl]methanone

C22H15F2NO3 — CID 10499923

IUPAC(3-amino-7-methoxy-1-benzofuran-2-yl)-[4-(2,4-difluorophenyl)phenyl]methanone
SMILESCOc1cccc2c(N)c(C(=O)c3ccc(-c4ccc(F)cc4F)cc3)oc12
InChIInChI=1S/C22H15F2NO3/c1-27-18-4-2-3-16-19(25)22(28-21(16)18)20(26)13-7-5-12(6-8-13)15-10-9-14(23)11-17(15)24/h2-11H,25H2,1H3
InChIKeyHXPCUOWZUAJESC-UHFFFAOYSA-N
MW379.36 g/mol
LogP5.20
Rot. Bonds4

About (3-amino-7-methoxy-1-benzofuran-2-yl)-[4-(2,4-difluorophenyl)phenyl]methanone

(3-amino-7-methoxy-1-benzofuran-2-yl)-[4-(2,4-difluorophenyl)phenyl]methanone (PubChem CID 10499923) has the molecular formula C22H15F2NO3 and a molecular weight of 379.36 g/mol. Its IUPAC name is (3-amino-7-methoxy-1-benzofuran-2-yl)-[4-(2,4-difluorophenyl)phenyl]methanone.

Molecular Properties

Compound Name(3-amino-7-methoxy-1-benzofuran-2-yl)-[4-(2,4-difluorophenyl)phenyl]methanone
PubChem CID10499923
Molecular FormulaC22H15F2NO3
Molecular Weight379.36 g/mol
Exact Mass379.10
IUPAC Name(3-amino-7-methoxy-1-benzofuran-2-yl)-[4-(2,4-difluorophenyl)phenyl]methanone
SMILESCOc1cccc2c(N)c(C(=O)c3ccc(-c4ccc(F)cc4F)cc3)oc12
InChIInChI=1S/C22H15F2NO3/c1-27-18-4-2-3-16-19(25)22(28-21(16)18)20(26)13-7-5-12(6-8-13)15-10-9-14(23)11-17(15)24/h2-11H,25H2,1H3
InChIKeyHXPCUOWZUAJESC-UHFFFAOYSA-N
XLogP5.20
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.36
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-7-methoxy-1-benzofuran-2-yl)-[4-(2,4-difluorophenyl)phenyl]methanone?
The IUPAC name of (3-amino-7-methoxy-1-benzofuran-2-yl)-[4-(2,4-difluorophenyl)phenyl]methanone (CID 10499923) is (3-amino-7-methoxy-1-benzofuran-2-yl)-[4-(2,4-difluorophenyl)phenyl]methanone.
What is the SMILES notation for (3-amino-7-methoxy-1-benzofuran-2-yl)-[4-(2,4-difluorophenyl)phenyl]methanone?
The canonical SMILES for (3-amino-7-methoxy-1-benzofuran-2-yl)-[4-(2,4-difluorophenyl)phenyl]methanone is COc1cccc2c(N)c(C(=O)c3ccc(-c4ccc(F)cc4F)cc3)oc12.
What is the InChIKey of (3-amino-7-methoxy-1-benzofuran-2-yl)-[4-(2,4-difluorophenyl)phenyl]methanone?
The InChIKey is HXPCUOWZUAJESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2NO3/c1-27-18-4-2-3-16-19(25)22(28-21(16)18)20(26)13-7-5-12(6-8-13)15-10-9-14(23)11-17(15)24/h2-11H,25H2,1H3.
What are the key properties of (3-amino-7-methoxy-1-benzofuran-2-yl)-[4-(2,4-difluorophenyl)phenyl]methanone?
(3-amino-7-methoxy-1-benzofuran-2-yl)-[4-(2,4-difluorophenyl)phenyl]methanone has a molecular weight of 379.36 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-7-methoxy-1-benzofuran-2-yl)-[4-(2,4-difluorophenyl)phenyl]methanone is sourced from PubChem (CID 10499923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).