5-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide

C17H21ClN2O3 — CID 51219508

IUPAC5-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide
SMILESCC(C)(CNC(=O)c1cc2cc(Cl)ccc2o1)N1CCOCC1
InChIInChI=1S/C17H21ClN2O3/c1-17(2,20-5-7-22-8-6-20)11-19-16(21)15-10-12-9-13(18)3-4-14(12)23-15/h3-4,9-10H,5-8,11H2,1-2H3,(H,19,21)
InChIKeyPXZPXLKDEPVPDI-UHFFFAOYSA-N
MW336.82 g/mol
LogP2.93
Rot. Bonds4

About 5-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide

5-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide (PubChem CID 51219508) has the molecular formula C17H21ClN2O3 and a molecular weight of 336.82 g/mol. Its IUPAC name is 5-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide
PubChem CID51219508
Molecular FormulaC17H21ClN2O3
Molecular Weight336.82 g/mol
Exact Mass336.12
IUPAC Name5-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide
SMILESCC(C)(CNC(=O)c1cc2cc(Cl)ccc2o1)N1CCOCC1
InChIInChI=1S/C17H21ClN2O3/c1-17(2,20-5-7-22-8-6-20)11-19-16(21)15-10-12-9-13(18)3-4-14(12)23-15/h3-4,9-10H,5-8,11H2,1-2H3,(H,19,21)
InChIKeyPXZPXLKDEPVPDI-UHFFFAOYSA-N
XLogP2.93
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide (CID 51219508) is 5-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide is CC(C)(CNC(=O)c1cc2cc(Cl)ccc2o1)N1CCOCC1.
What is the InChIKey of 5-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide?
The InChIKey is PXZPXLKDEPVPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3/c1-17(2,20-5-7-22-8-6-20)11-19-16(21)15-10-12-9-13(18)3-4-14(12)23-15/h3-4,9-10H,5-8,11H2,1-2H3,(H,19,21).
What are the key properties of 5-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide?
5-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide has a molecular weight of 336.82 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 51219508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).