7-chloro-N,3,5-trimethyl-N-(1-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide

C19H19ClN2O2 — CID 24790533

IUPAC7-chloro-N,3,5-trimethyl-N-(1-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide
SMILESCc1cc(Cl)c2oc(C(=O)N(C)C(C)c3ccccn3)c(C)c2c1
InChIInChI=1S/C19H19ClN2O2/c1-11-9-14-12(2)17(24-18(14)15(20)10-11)19(23)22(4)13(3)16-7-5-6-8-21-16/h5-10,13H,1-4H3
InChIKeyHGPROSHOHOPVCH-UHFFFAOYSA-N
MW342.83 g/mol
LogP4.93
Rot. Bonds3

About 7-chloro-N,3,5-trimethyl-N-(1-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide

7-chloro-N,3,5-trimethyl-N-(1-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide (PubChem CID 24790533) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 7-chloro-N,3,5-trimethyl-N-(1-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N,3,5-trimethyl-N-(1-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide
PubChem CID24790533
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name7-chloro-N,3,5-trimethyl-N-(1-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide
SMILESCc1cc(Cl)c2oc(C(=O)N(C)C(C)c3ccccn3)c(C)c2c1
InChIInChI=1S/C19H19ClN2O2/c1-11-9-14-12(2)17(24-18(14)15(20)10-11)19(23)22(4)13(3)16-7-5-6-8-21-16/h5-10,13H,1-4H3
InChIKeyHGPROSHOHOPVCH-UHFFFAOYSA-N
XLogP4.93
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N,3,5-trimethyl-N-(1-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-chloro-N,3,5-trimethyl-N-(1-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide (CID 24790533) is 7-chloro-N,3,5-trimethyl-N-(1-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-chloro-N,3,5-trimethyl-N-(1-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-chloro-N,3,5-trimethyl-N-(1-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide is Cc1cc(Cl)c2oc(C(=O)N(C)C(C)c3ccccn3)c(C)c2c1.
What is the InChIKey of 7-chloro-N,3,5-trimethyl-N-(1-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide?
The InChIKey is HGPROSHOHOPVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-11-9-14-12(2)17(24-18(14)15(20)10-11)19(23)22(4)13(3)16-7-5-6-8-21-16/h5-10,13H,1-4H3.
What are the key properties of 7-chloro-N,3,5-trimethyl-N-(1-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide?
7-chloro-N,3,5-trimethyl-N-(1-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N,3,5-trimethyl-N-(1-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24790533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).