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

C18H17ClN2O2 — CID 78796470

IUPAC7-chloro-N,3-dimethyl-N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(C)CCc2ccccn2)oc2c(Cl)cccc12
InChIInChI=1S/C18H17ClN2O2/c1-12-14-7-5-8-15(19)17(14)23-16(12)18(22)21(2)11-9-13-6-3-4-10-20-13/h3-8,10H,9,11H2,1-2H3
InChIKeyDZCZHVGNTFHPQX-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.10
Rot. Bonds4

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

7-chloro-N,3-dimethyl-N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide (PubChem CID 78796470) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 7-chloro-N,3-dimethyl-N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N,3-dimethyl-N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide
PubChem CID78796470
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name7-chloro-N,3-dimethyl-N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(C)CCc2ccccn2)oc2c(Cl)cccc12
InChIInChI=1S/C18H17ClN2O2/c1-12-14-7-5-8-15(19)17(14)23-16(12)18(22)21(2)11-9-13-6-3-4-10-20-13/h3-8,10H,9,11H2,1-2H3
InChIKeyDZCZHVGNTFHPQX-UHFFFAOYSA-N
XLogP4.10
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.10
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-dimethyl-N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-chloro-N,3-dimethyl-N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide (CID 78796470) is 7-chloro-N,3-dimethyl-N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-chloro-N,3-dimethyl-N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-chloro-N,3-dimethyl-N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)N(C)CCc2ccccn2)oc2c(Cl)cccc12.
What is the InChIKey of 7-chloro-N,3-dimethyl-N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide?
The InChIKey is DZCZHVGNTFHPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-12-14-7-5-8-15(19)17(14)23-16(12)18(22)21(2)11-9-13-6-3-4-10-20-13/h3-8,10H,9,11H2,1-2H3.
What are the key properties of 7-chloro-N,3-dimethyl-N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide?
7-chloro-N,3-dimethyl-N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide has a molecular weight of 328.80 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N,3-dimethyl-N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 78796470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).