5-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide

C15H20ClNO3 — CID 103933520

IUPAC5-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC(C)(O)C(C)(C)NC(=O)C1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C15H20ClNO3/c1-14(2,15(3,4)19)17-13(18)12-8-9-7-10(16)5-6-11(9)20-12/h5-7,12,19H,8H2,1-4H3,(H,17,18)
InChIKeyDQSNVKKDJCPGLA-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.31
Rot. Bonds3

About 5-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide

5-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 103933520) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 5-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID103933520
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name5-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC(C)(O)C(C)(C)NC(=O)C1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C15H20ClNO3/c1-14(2,15(3,4)19)17-13(18)12-8-9-7-10(16)5-6-11(9)20-12/h5-7,12,19H,8H2,1-4H3,(H,17,18)
InChIKeyDQSNVKKDJCPGLA-UHFFFAOYSA-N
XLogP2.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 103933520) is 5-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is CC(C)(O)C(C)(C)NC(=O)C1Cc2cc(Cl)ccc2O1.
What is the InChIKey of 5-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is DQSNVKKDJCPGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-14(2,15(3,4)19)17-13(18)12-8-9-7-10(16)5-6-11(9)20-12/h5-7,12,19H,8H2,1-4H3,(H,17,18).
What are the key properties of 5-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
5-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 297.78 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 103933520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).