2-chloro-N-(2,3-dimethyl-1-benzofuran-7-yl)-6-fluorobenzamide

C17H13ClFNO2 — CID 70199709

IUPAC2-chloro-N-(2,3-dimethyl-1-benzofuran-7-yl)-6-fluorobenzamide
SMILESCc1oc2c(NC(=O)c3c(F)cccc3Cl)cccc2c1C
InChIInChI=1S/C17H13ClFNO2/c1-9-10(2)22-16-11(9)5-3-8-14(16)20-17(21)15-12(18)6-4-7-13(15)19/h3-8H,1-2H3,(H,20,21)
InChIKeyHMTYDYXTHPYNPR-UHFFFAOYSA-N
MW317.75 g/mol
LogP5.09
Rot. Bonds2

About 2-chloro-N-(2,3-dimethyl-1-benzofuran-7-yl)-6-fluorobenzamide

2-chloro-N-(2,3-dimethyl-1-benzofuran-7-yl)-6-fluorobenzamide (PubChem CID 70199709) has the molecular formula C17H13ClFNO2 and a molecular weight of 317.75 g/mol. Its IUPAC name is 2-chloro-N-(2,3-dimethyl-1-benzofuran-7-yl)-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-(2,3-dimethyl-1-benzofuran-7-yl)-6-fluorobenzamide
PubChem CID70199709
Molecular FormulaC17H13ClFNO2
Molecular Weight317.75 g/mol
Exact Mass317.06
IUPAC Name2-chloro-N-(2,3-dimethyl-1-benzofuran-7-yl)-6-fluorobenzamide
SMILESCc1oc2c(NC(=O)c3c(F)cccc3Cl)cccc2c1C
InChIInChI=1S/C17H13ClFNO2/c1-9-10(2)22-16-11(9)5-3-8-14(16)20-17(21)15-12(18)6-4-7-13(15)19/h3-8H,1-2H3,(H,20,21)
InChIKeyHMTYDYXTHPYNPR-UHFFFAOYSA-N
XLogP5.09
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.75
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,3-dimethyl-1-benzofuran-7-yl)-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-(2,3-dimethyl-1-benzofuran-7-yl)-6-fluorobenzamide (CID 70199709) is 2-chloro-N-(2,3-dimethyl-1-benzofuran-7-yl)-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-(2,3-dimethyl-1-benzofuran-7-yl)-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-(2,3-dimethyl-1-benzofuran-7-yl)-6-fluorobenzamide is Cc1oc2c(NC(=O)c3c(F)cccc3Cl)cccc2c1C.
What is the InChIKey of 2-chloro-N-(2,3-dimethyl-1-benzofuran-7-yl)-6-fluorobenzamide?
The InChIKey is HMTYDYXTHPYNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO2/c1-9-10(2)22-16-11(9)5-3-8-14(16)20-17(21)15-12(18)6-4-7-13(15)19/h3-8H,1-2H3,(H,20,21).
What are the key properties of 2-chloro-N-(2,3-dimethyl-1-benzofuran-7-yl)-6-fluorobenzamide?
2-chloro-N-(2,3-dimethyl-1-benzofuran-7-yl)-6-fluorobenzamide has a molecular weight of 317.75 g/mol, XLogP of 5.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,3-dimethyl-1-benzofuran-7-yl)-6-fluorobenzamide is sourced from PubChem (CID 70199709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).