2,4-dichloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide

C15H13Cl2NO2 — CID 3491146

IUPAC2,4-dichloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
SMILESO=C(NC1CCCc2occc21)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2NO2/c16-9-4-5-10(12(17)8-9)15(19)18-13-2-1-3-14-11(13)6-7-20-14/h4-8,13H,1-3H2,(H,18,19)
InChIKeyGUEIPKURPWMJPC-UHFFFAOYSA-N
MW310.18 g/mol
LogP4.39
Rot. Bonds2

About 2,4-dichloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide

2,4-dichloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide (PubChem CID 3491146) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 2,4-dichloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
PubChem CID3491146
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name2,4-dichloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
SMILESO=C(NC1CCCc2occc21)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2NO2/c16-9-4-5-10(12(17)8-9)15(19)18-13-2-1-3-14-11(13)6-7-20-14/h4-8,13H,1-3H2,(H,18,19)
InChIKeyGUEIPKURPWMJPC-UHFFFAOYSA-N
XLogP4.39
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 60734211
5-bromo-2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 60734129
2-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide
CID 60734553
2-chloro-5-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide
CID 103891865
1-(3-chlorophenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78891837
4-amino-2-methoxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 107207796
1-[(4-chlorophenyl)methyl]-1-methyl-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 86927691
4-chloro-3-nitro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 3491144
6-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-2-carboxamide
CID 62233683
2-methylsulfanyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 42949896
1-(4-chloro-3-fluorophenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78890822
2-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 71940019

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide?
The IUPAC name of 2,4-dichloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide (CID 3491146) is 2,4-dichloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide is O=C(NC1CCCc2occc21)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide?
The InChIKey is GUEIPKURPWMJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c16-9-4-5-10(12(17)8-9)15(19)18-13-2-1-3-14-11(13)6-7-20-14/h4-8,13H,1-3H2,(H,18,19).
What are the key properties of 2,4-dichloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide?
2,4-dichloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide has a molecular weight of 310.18 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide is sourced from PubChem (CID 3491146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).