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

C24H19Cl2NO3 — CID 59691986

IUPAC[3-amino-6-[3-(2-hydroxypropan-2-yl)phenyl]-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone
SMILESCC(C)(O)c1cccc(-c2ccc3c(N)c(C(=O)c4ccc(Cl)cc4Cl)oc3c2)c1
InChIInChI=1S/C24H19Cl2NO3/c1-24(2,29)15-5-3-4-13(10-15)14-6-8-18-20(11-14)30-23(21(18)27)22(28)17-9-7-16(25)12-19(17)26/h3-12,29H,27H2,1-2H3
InChIKeyAKFBVEJLNJDZFN-UHFFFAOYSA-N
MW440.33 g/mol
LogP6.45
Rot. Bonds4

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

[3-amino-6-[3-(2-hydroxypropan-2-yl)phenyl]-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone (PubChem CID 59691986) has the molecular formula C24H19Cl2NO3 and a molecular weight of 440.33 g/mol. Its IUPAC name is [3-amino-6-[3-(2-hydroxypropan-2-yl)phenyl]-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name[3-amino-6-[3-(2-hydroxypropan-2-yl)phenyl]-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone
PubChem CID59691986
Molecular FormulaC24H19Cl2NO3
Molecular Weight440.33 g/mol
Exact Mass439.07
IUPAC Name[3-amino-6-[3-(2-hydroxypropan-2-yl)phenyl]-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone
SMILESCC(C)(O)c1cccc(-c2ccc3c(N)c(C(=O)c4ccc(Cl)cc4Cl)oc3c2)c1
InChIInChI=1S/C24H19Cl2NO3/c1-24(2,29)15-5-3-4-13(10-15)14-6-8-18-20(11-14)30-23(21(18)27)22(28)17-9-7-16(25)12-19(17)26/h3-12,29H,27H2,1-2H3
InChIKeyAKFBVEJLNJDZFN-UHFFFAOYSA-N
XLogP6.45
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.33
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-amino-6-[3-(2-hydroxypropan-2-yl)phenyl]-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone?
The IUPAC name of [3-amino-6-[3-(2-hydroxypropan-2-yl)phenyl]-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone (CID 59691986) is [3-amino-6-[3-(2-hydroxypropan-2-yl)phenyl]-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone.
What is the SMILES notation for [3-amino-6-[3-(2-hydroxypropan-2-yl)phenyl]-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone?
The canonical SMILES for [3-amino-6-[3-(2-hydroxypropan-2-yl)phenyl]-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone is CC(C)(O)c1cccc(-c2ccc3c(N)c(C(=O)c4ccc(Cl)cc4Cl)oc3c2)c1.
What is the InChIKey of [3-amino-6-[3-(2-hydroxypropan-2-yl)phenyl]-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone?
The InChIKey is AKFBVEJLNJDZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2NO3/c1-24(2,29)15-5-3-4-13(10-15)14-6-8-18-20(11-14)30-23(21(18)27)22(28)17-9-7-16(25)12-19(17)26/h3-12,29H,27H2,1-2H3.
What are the key properties of [3-amino-6-[3-(2-hydroxypropan-2-yl)phenyl]-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone?
[3-amino-6-[3-(2-hydroxypropan-2-yl)phenyl]-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone has a molecular weight of 440.33 g/mol, XLogP of 6.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-[3-(2-hydroxypropan-2-yl)phenyl]-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone is sourced from PubChem (CID 59691986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).