2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide

C18H23ClN2O3 — CID 18871958

IUPAC2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCc1cc2occ(CC(=O)NCCCN3CCOCC3)c2cc1Cl
InChIInChI=1S/C18H23ClN2O3/c1-13-9-17-15(11-16(13)19)14(12-24-17)10-18(22)20-3-2-4-21-5-7-23-8-6-21/h9,11-12H,2-8,10H2,1H3,(H,20,22)
InChIKeyLRJZZWSGKMWLDM-UHFFFAOYSA-N
MW350.85 g/mol
LogP2.78
Rot. Bonds6

About 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide

2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 18871958) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID18871958
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC Name2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCc1cc2occ(CC(=O)NCCCN3CCOCC3)c2cc1Cl
InChIInChI=1S/C18H23ClN2O3/c1-13-9-17-15(11-16(13)19)14(12-24-17)10-18(22)20-3-2-4-21-5-7-23-8-6-21/h9,11-12H,2-8,10H2,1H3,(H,20,22)
InChIKeyLRJZZWSGKMWLDM-UHFFFAOYSA-N
XLogP2.78
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 18872336
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide
CID 86933184
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 108792020
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-[2-(triazol-1-yl)ethyl]acetamide
CID 122571090
N-(3-aminopropyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 119405292
4-chloro-6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
CID 81226039
(2S,4R)-4-[[2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetyl]amino]-N,1-dimethylpyrrolidine-2-carboxamide
CID 72869787
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide
CID 32863739
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide
CID 111429617
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26521392
5-bromo-2-chloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 51155963

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide (CID 18871958) is 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide is Cc1cc2occ(CC(=O)NCCCN3CCOCC3)c2cc1Cl.
What is the InChIKey of 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is LRJZZWSGKMWLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O3/c1-13-9-17-15(11-16(13)19)14(12-24-17)10-18(22)20-3-2-4-21-5-7-23-8-6-21/h9,11-12H,2-8,10H2,1H3,(H,20,22).
What are the key properties of 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 350.85 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 18871958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).