2-chloro-N-[2-[1-(5,6-dimethyl-1-benzofuran-3-carbonyl)piperidin-4-yl]ethyl]acetamide

C20H25ClN2O3 — CID 154874701

IUPAC2-chloro-N-[2-[1-(5,6-dimethyl-1-benzofuran-3-carbonyl)piperidin-4-yl]ethyl]acetamide
SMILESCc1cc2occ(C(=O)N3CCC(CCNC(=O)CCl)CC3)c2cc1C
InChIInChI=1S/C20H25ClN2O3/c1-13-9-16-17(12-26-18(16)10-14(13)2)20(25)23-7-4-15(5-8-23)3-6-22-19(24)11-21/h9-10,12,15H,3-8,11H2,1-2H3,(H,22,24)
InChIKeyNGLIXBCTKFNOJP-UHFFFAOYSA-N
MW376.88 g/mol
LogP3.65
Rot. Bonds5

About 2-chloro-N-[2-[1-(5,6-dimethyl-1-benzofuran-3-carbonyl)piperidin-4-yl]ethyl]acetamide

2-chloro-N-[2-[1-(5,6-dimethyl-1-benzofuran-3-carbonyl)piperidin-4-yl]ethyl]acetamide (PubChem CID 154874701) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is 2-chloro-N-[2-[1-(5,6-dimethyl-1-benzofuran-3-carbonyl)piperidin-4-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-[1-(5,6-dimethyl-1-benzofuran-3-carbonyl)piperidin-4-yl]ethyl]acetamide
PubChem CID154874701
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC Name2-chloro-N-[2-[1-(5,6-dimethyl-1-benzofuran-3-carbonyl)piperidin-4-yl]ethyl]acetamide
SMILESCc1cc2occ(C(=O)N3CCC(CCNC(=O)CCl)CC3)c2cc1C
InChIInChI=1S/C20H25ClN2O3/c1-13-9-16-17(12-26-18(16)10-14(13)2)20(25)23-7-4-15(5-8-23)3-6-22-19(24)11-21/h9-10,12,15H,3-8,11H2,1-2H3,(H,22,24)
InChIKeyNGLIXBCTKFNOJP-UHFFFAOYSA-N
XLogP3.65
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[1-(5,6-dimethyl-1-benzofuran-3-carbonyl)piperidin-4-yl]ethyl]acetamide?
The IUPAC name of 2-chloro-N-[2-[1-(5,6-dimethyl-1-benzofuran-3-carbonyl)piperidin-4-yl]ethyl]acetamide (CID 154874701) is 2-chloro-N-[2-[1-(5,6-dimethyl-1-benzofuran-3-carbonyl)piperidin-4-yl]ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-[1-(5,6-dimethyl-1-benzofuran-3-carbonyl)piperidin-4-yl]ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-[1-(5,6-dimethyl-1-benzofuran-3-carbonyl)piperidin-4-yl]ethyl]acetamide is Cc1cc2occ(C(=O)N3CCC(CCNC(=O)CCl)CC3)c2cc1C.
What is the InChIKey of 2-chloro-N-[2-[1-(5,6-dimethyl-1-benzofuran-3-carbonyl)piperidin-4-yl]ethyl]acetamide?
The InChIKey is NGLIXBCTKFNOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3/c1-13-9-16-17(12-26-18(16)10-14(13)2)20(25)23-7-4-15(5-8-23)3-6-22-19(24)11-21/h9-10,12,15H,3-8,11H2,1-2H3,(H,22,24).
What are the key properties of 2-chloro-N-[2-[1-(5,6-dimethyl-1-benzofuran-3-carbonyl)piperidin-4-yl]ethyl]acetamide?
2-chloro-N-[2-[1-(5,6-dimethyl-1-benzofuran-3-carbonyl)piperidin-4-yl]ethyl]acetamide has a molecular weight of 376.88 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[1-(5,6-dimethyl-1-benzofuran-3-carbonyl)piperidin-4-yl]ethyl]acetamide is sourced from PubChem (CID 154874701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).