5-chloro-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide

C15H20ClNO3 — CID 103782304

IUPAC5-chloro-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC(C)C(CCO)NC(=O)C1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C15H20ClNO3/c1-9(2)12(5-6-18)17-15(19)14-8-10-7-11(16)3-4-13(10)20-14/h3-4,7,9,12,14,18H,5-6,8H2,1-2H3,(H,17,19)
InChIKeyIVHMENIXNLNCSU-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.17
Rot. Bonds5

About 5-chloro-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide

5-chloro-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 103782304) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 5-chloro-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID103782304
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name5-chloro-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC(C)C(CCO)NC(=O)C1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C15H20ClNO3/c1-9(2)12(5-6-18)17-15(19)14-8-10-7-11(16)3-4-13(10)20-14/h3-4,7,9,12,14,18H,5-6,8H2,1-2H3,(H,17,19)
InChIKeyIVHMENIXNLNCSU-UHFFFAOYSA-N
XLogP2.17
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 103782304) is 5-chloro-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is CC(C)C(CCO)NC(=O)C1Cc2cc(Cl)ccc2O1.
What is the InChIKey of 5-chloro-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is IVHMENIXNLNCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-9(2)12(5-6-18)17-15(19)14-8-10-7-11(16)3-4-13(10)20-14/h3-4,7,9,12,14,18H,5-6,8H2,1-2H3,(H,17,19).
What are the key properties of 5-chloro-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
5-chloro-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 297.78 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 103782304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).