7-chloro-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide

C15H16ClNO3 — CID 16547666

IUPAC7-chloro-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCC2CCCO2)oc2c(Cl)cccc12
InChIInChI=1S/C15H16ClNO3/c1-9-11-5-2-6-12(16)14(11)20-13(9)15(18)17-8-10-4-3-7-19-10/h2,5-6,10H,3-4,7-8H2,1H3,(H,17,18)
InChIKeyMTJJGBFOUQLJEY-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.30
Rot. Bonds3

About 7-chloro-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide

7-chloro-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 16547666) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is 7-chloro-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-chloro-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID16547666
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Name7-chloro-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCC2CCCO2)oc2c(Cl)cccc12
InChIInChI=1S/C15H16ClNO3/c1-9-11-5-2-6-12(16)14(11)20-13(9)15(18)17-8-10-4-3-7-19-10/h2,5-6,10H,3-4,7-8H2,1H3,(H,17,18)
InChIKeyMTJJGBFOUQLJEY-UHFFFAOYSA-N
XLogP3.30
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-chloro-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide (CID 16547666) is 7-chloro-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-chloro-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-chloro-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCC2CCCO2)oc2c(Cl)cccc12.
What is the InChIKey of 7-chloro-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is MTJJGBFOUQLJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3/c1-9-11-5-2-6-12(16)14(11)20-13(9)15(18)17-8-10-4-3-7-19-10/h2,5-6,10H,3-4,7-8H2,1H3,(H,17,18).
What are the key properties of 7-chloro-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide?
7-chloro-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 293.75 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 16547666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).