2,6-dichloro-N-[5-fluoro-3-(2-hydroxypropan-2-yl)-2-methyl-1-benzofuran-7-yl]benzamide

C19H16Cl2FNO3 — CID 70199994

IUPAC2,6-dichloro-N-[5-fluoro-3-(2-hydroxypropan-2-yl)-2-methyl-1-benzofuran-7-yl]benzamide
SMILESCc1oc2c(NC(=O)c3c(Cl)cccc3Cl)cc(F)cc2c1C(C)(C)O
InChIInChI=1S/C19H16Cl2FNO3/c1-9-16(19(2,3)25)11-7-10(22)8-14(17(11)26-9)23-18(24)15-12(20)5-4-6-13(15)21/h4-8,25H,1-3H3,(H,23,24)
InChIKeyDZPWSXZHPYPAIY-UHFFFAOYSA-N
MW396.25 g/mol
LogP5.67
Rot. Bonds3

About 2,6-dichloro-N-[5-fluoro-3-(2-hydroxypropan-2-yl)-2-methyl-1-benzofuran-7-yl]benzamide

2,6-dichloro-N-[5-fluoro-3-(2-hydroxypropan-2-yl)-2-methyl-1-benzofuran-7-yl]benzamide (PubChem CID 70199994) has the molecular formula C19H16Cl2FNO3 and a molecular weight of 396.25 g/mol. Its IUPAC name is 2,6-dichloro-N-[5-fluoro-3-(2-hydroxypropan-2-yl)-2-methyl-1-benzofuran-7-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[5-fluoro-3-(2-hydroxypropan-2-yl)-2-methyl-1-benzofuran-7-yl]benzamide
PubChem CID70199994
Molecular FormulaC19H16Cl2FNO3
Molecular Weight396.25 g/mol
Exact Mass395.05
IUPAC Name2,6-dichloro-N-[5-fluoro-3-(2-hydroxypropan-2-yl)-2-methyl-1-benzofuran-7-yl]benzamide
SMILESCc1oc2c(NC(=O)c3c(Cl)cccc3Cl)cc(F)cc2c1C(C)(C)O
InChIInChI=1S/C19H16Cl2FNO3/c1-9-16(19(2,3)25)11-7-10(22)8-14(17(11)26-9)23-18(24)15-12(20)5-4-6-13(15)21/h4-8,25H,1-3H3,(H,23,24)
InChIKeyDZPWSXZHPYPAIY-UHFFFAOYSA-N
XLogP5.67
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.25
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[5-fluoro-3-(2-hydroxypropan-2-yl)-2-methyl-1-benzofuran-7-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[5-fluoro-3-(2-hydroxypropan-2-yl)-2-methyl-1-benzofuran-7-yl]benzamide (CID 70199994) is 2,6-dichloro-N-[5-fluoro-3-(2-hydroxypropan-2-yl)-2-methyl-1-benzofuran-7-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[5-fluoro-3-(2-hydroxypropan-2-yl)-2-methyl-1-benzofuran-7-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[5-fluoro-3-(2-hydroxypropan-2-yl)-2-methyl-1-benzofuran-7-yl]benzamide is Cc1oc2c(NC(=O)c3c(Cl)cccc3Cl)cc(F)cc2c1C(C)(C)O.
What is the InChIKey of 2,6-dichloro-N-[5-fluoro-3-(2-hydroxypropan-2-yl)-2-methyl-1-benzofuran-7-yl]benzamide?
The InChIKey is DZPWSXZHPYPAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2FNO3/c1-9-16(19(2,3)25)11-7-10(22)8-14(17(11)26-9)23-18(24)15-12(20)5-4-6-13(15)21/h4-8,25H,1-3H3,(H,23,24).
What are the key properties of 2,6-dichloro-N-[5-fluoro-3-(2-hydroxypropan-2-yl)-2-methyl-1-benzofuran-7-yl]benzamide?
2,6-dichloro-N-[5-fluoro-3-(2-hydroxypropan-2-yl)-2-methyl-1-benzofuran-7-yl]benzamide has a molecular weight of 396.25 g/mol, XLogP of 5.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[5-fluoro-3-(2-hydroxypropan-2-yl)-2-methyl-1-benzofuran-7-yl]benzamide is sourced from PubChem (CID 70199994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).