7-chloro-N,3,5-trimethyl-N-(oxolan-3-yl)-1-benzofuran-2-carboxamide

C16H18ClNO3 — CID 24790530

IUPAC7-chloro-N,3,5-trimethyl-N-(oxolan-3-yl)-1-benzofuran-2-carboxamide
SMILESCc1cc(Cl)c2oc(C(=O)N(C)C3CCOC3)c(C)c2c1
InChIInChI=1S/C16H18ClNO3/c1-9-6-12-10(2)14(21-15(12)13(17)7-9)16(19)18(3)11-4-5-20-8-11/h6-7,11H,4-5,8H2,1-3H3
InChIKeyIIDTVBPNIZXLOX-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.56
Rot. Bonds2

About 7-chloro-N,3,5-trimethyl-N-(oxolan-3-yl)-1-benzofuran-2-carboxamide

7-chloro-N,3,5-trimethyl-N-(oxolan-3-yl)-1-benzofuran-2-carboxamide (PubChem CID 24790530) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is 7-chloro-N,3,5-trimethyl-N-(oxolan-3-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N,3,5-trimethyl-N-(oxolan-3-yl)-1-benzofuran-2-carboxamide
PubChem CID24790530
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC Name7-chloro-N,3,5-trimethyl-N-(oxolan-3-yl)-1-benzofuran-2-carboxamide
SMILESCc1cc(Cl)c2oc(C(=O)N(C)C3CCOC3)c(C)c2c1
InChIInChI=1S/C16H18ClNO3/c1-9-6-12-10(2)14(21-15(12)13(17)7-9)16(19)18(3)11-4-5-20-8-11/h6-7,11H,4-5,8H2,1-3H3
InChIKeyIIDTVBPNIZXLOX-UHFFFAOYSA-N
XLogP3.56
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.56
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-(oxolan-3-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-chloro-N,3,5-trimethyl-N-(oxolan-3-yl)-1-benzofuran-2-carboxamide (CID 24790530) is 7-chloro-N,3,5-trimethyl-N-(oxolan-3-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-chloro-N,3,5-trimethyl-N-(oxolan-3-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-chloro-N,3,5-trimethyl-N-(oxolan-3-yl)-1-benzofuran-2-carboxamide is Cc1cc(Cl)c2oc(C(=O)N(C)C3CCOC3)c(C)c2c1.
What is the InChIKey of 7-chloro-N,3,5-trimethyl-N-(oxolan-3-yl)-1-benzofuran-2-carboxamide?
The InChIKey is IIDTVBPNIZXLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3/c1-9-6-12-10(2)14(21-15(12)13(17)7-9)16(19)18(3)11-4-5-20-8-11/h6-7,11H,4-5,8H2,1-3H3.
What are the key properties of 7-chloro-N,3,5-trimethyl-N-(oxolan-3-yl)-1-benzofuran-2-carboxamide?
7-chloro-N,3,5-trimethyl-N-(oxolan-3-yl)-1-benzofuran-2-carboxamide has a molecular weight of 307.78 g/mol, XLogP of 3.56, 2 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-(oxolan-3-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24790530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).