7-chloro-3,5-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide

C19H25ClN2O3 — CID 24790863

IUPAC7-chloro-3,5-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide
SMILESCc1cc(Cl)c2oc(C(=O)NCC(C)(C)N3CCOCC3)c(C)c2c1
InChIInChI=1S/C19H25ClN2O3/c1-12-9-14-13(2)16(25-17(14)15(20)10-12)18(23)21-11-19(3,4)22-5-7-24-8-6-22/h9-10H,5-8,11H2,1-4H3,(H,21,23)
InChIKeyZPEPEYBWTJKEJI-UHFFFAOYSA-N
MW364.87 g/mol
LogP3.54
Rot. Bonds4

About 7-chloro-3,5-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide

7-chloro-3,5-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide (PubChem CID 24790863) has the molecular formula C19H25ClN2O3 and a molecular weight of 364.87 g/mol. Its IUPAC name is 7-chloro-3,5-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-chloro-3,5-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide
PubChem CID24790863
Molecular FormulaC19H25ClN2O3
Molecular Weight364.87 g/mol
Exact Mass364.16
IUPAC Name7-chloro-3,5-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide
SMILESCc1cc(Cl)c2oc(C(=O)NCC(C)(C)N3CCOCC3)c(C)c2c1
InChIInChI=1S/C19H25ClN2O3/c1-12-9-14-13(2)16(25-17(14)15(20)10-12)18(23)21-11-19(3,4)22-5-7-24-8-6-22/h9-10H,5-8,11H2,1-4H3,(H,21,23)
InChIKeyZPEPEYBWTJKEJI-UHFFFAOYSA-N
XLogP3.54
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.87
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-chloro-3,5-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-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 7-chloro-3,5-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-chloro-3,5-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide (CID 24790863) is 7-chloro-3,5-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-chloro-3,5-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-chloro-3,5-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide is Cc1cc(Cl)c2oc(C(=O)NCC(C)(C)N3CCOCC3)c(C)c2c1.
What is the InChIKey of 7-chloro-3,5-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide?
The InChIKey is ZPEPEYBWTJKEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O3/c1-12-9-14-13(2)16(25-17(14)15(20)10-12)18(23)21-11-19(3,4)22-5-7-24-8-6-22/h9-10H,5-8,11H2,1-4H3,(H,21,23).
What are the key properties of 7-chloro-3,5-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide?
7-chloro-3,5-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide has a molecular weight of 364.87 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3,5-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24790863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).