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

C19H16Cl2FNO3 — CID 67695071

IUPAC2,6-dichloro-N-[5-fluoro-3-(1-hydroxypropyl)-2-methyl-1-benzofuran-7-yl]benzamide
SMILESCCC(O)c1c(C)oc2c(NC(=O)c3c(Cl)cccc3Cl)cc(F)cc12
InChIInChI=1S/C19H16Cl2FNO3/c1-3-15(24)16-9(2)26-18-11(16)7-10(22)8-14(18)23-19(25)17-12(20)5-4-6-13(17)21/h4-8,15,24H,3H2,1-2H3,(H,23,25)
InChIKeyDWADQGXCPCOPCR-UHFFFAOYSA-N
MW396.25 g/mol
LogP5.88
Rot. Bonds4

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

2,6-dichloro-N-[5-fluoro-3-(1-hydroxypropyl)-2-methyl-1-benzofuran-7-yl]benzamide (PubChem CID 67695071) 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-(1-hydroxypropyl)-2-methyl-1-benzofuran-7-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[5-fluoro-3-(1-hydroxypropyl)-2-methyl-1-benzofuran-7-yl]benzamide
PubChem CID67695071
Molecular FormulaC19H16Cl2FNO3
Molecular Weight396.25 g/mol
Exact Mass395.05
IUPAC Name2,6-dichloro-N-[5-fluoro-3-(1-hydroxypropyl)-2-methyl-1-benzofuran-7-yl]benzamide
SMILESCCC(O)c1c(C)oc2c(NC(=O)c3c(Cl)cccc3Cl)cc(F)cc12
InChIInChI=1S/C19H16Cl2FNO3/c1-3-15(24)16-9(2)26-18-11(16)7-10(22)8-14(18)23-19(25)17-12(20)5-4-6-13(17)21/h4-8,15,24H,3H2,1-2H3,(H,23,25)
InChIKeyDWADQGXCPCOPCR-UHFFFAOYSA-N
XLogP5.88
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.25
LogP ≤ 55.88
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-(1-hydroxypropyl)-2-methyl-1-benzofuran-7-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[5-fluoro-3-(1-hydroxypropyl)-2-methyl-1-benzofuran-7-yl]benzamide (CID 67695071) is 2,6-dichloro-N-[5-fluoro-3-(1-hydroxypropyl)-2-methyl-1-benzofuran-7-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[5-fluoro-3-(1-hydroxypropyl)-2-methyl-1-benzofuran-7-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[5-fluoro-3-(1-hydroxypropyl)-2-methyl-1-benzofuran-7-yl]benzamide is CCC(O)c1c(C)oc2c(NC(=O)c3c(Cl)cccc3Cl)cc(F)cc12.
What is the InChIKey of 2,6-dichloro-N-[5-fluoro-3-(1-hydroxypropyl)-2-methyl-1-benzofuran-7-yl]benzamide?
The InChIKey is DWADQGXCPCOPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2FNO3/c1-3-15(24)16-9(2)26-18-11(16)7-10(22)8-14(18)23-19(25)17-12(20)5-4-6-13(17)21/h4-8,15,24H,3H2,1-2H3,(H,23,25).
What are the key properties of 2,6-dichloro-N-[5-fluoro-3-(1-hydroxypropyl)-2-methyl-1-benzofuran-7-yl]benzamide?
2,6-dichloro-N-[5-fluoro-3-(1-hydroxypropyl)-2-methyl-1-benzofuran-7-yl]benzamide has a molecular weight of 396.25 g/mol, XLogP of 5.88, 4 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-(1-hydroxypropyl)-2-methyl-1-benzofuran-7-yl]benzamide is sourced from PubChem (CID 67695071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).