2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-(oxan-4-ylmethyl)acetamide

C19H24ClNO3 — CID 166415499

IUPAC2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-(oxan-4-ylmethyl)acetamide
SMILESCCc1oc2ccccc2c1CN(CC1CCOCC1)C(=O)CCl
InChIInChI=1S/C19H24ClNO3/c1-2-17-16(15-5-3-4-6-18(15)24-17)13-21(19(22)11-20)12-14-7-9-23-10-8-14/h3-6,14H,2,7-13H2,1H3
InChIKeyVUFJPIRSMDUTHP-UHFFFAOYSA-N
MW349.86 g/mol
LogP3.99
Rot. Bonds6

About 2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-(oxan-4-ylmethyl)acetamide

2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-(oxan-4-ylmethyl)acetamide (PubChem CID 166415499) has the molecular formula C19H24ClNO3 and a molecular weight of 349.86 g/mol. Its IUPAC name is 2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-(oxan-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-(oxan-4-ylmethyl)acetamide
PubChem CID166415499
Molecular FormulaC19H24ClNO3
Molecular Weight349.86 g/mol
Exact Mass349.14
IUPAC Name2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-(oxan-4-ylmethyl)acetamide
SMILESCCc1oc2ccccc2c1CN(CC1CCOCC1)C(=O)CCl
InChIInChI=1S/C19H24ClNO3/c1-2-17-16(15-5-3-4-6-18(15)24-17)13-21(19(22)11-20)12-14-7-9-23-10-8-14/h3-6,14H,2,7-13H2,1H3
InChIKeyVUFJPIRSMDUTHP-UHFFFAOYSA-N
XLogP3.99
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 53.99
H-Bond Donors ≤ 50
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-ethyl-1-benzofuran-3-yl)methyl]-N-(oxan-4-ylmethyl)acetamide?
The IUPAC name of 2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-(oxan-4-ylmethyl)acetamide (CID 166415499) is 2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-(oxan-4-ylmethyl)acetamide.
What is the SMILES notation for 2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-(oxan-4-ylmethyl)acetamide?
The canonical SMILES for 2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-(oxan-4-ylmethyl)acetamide is CCc1oc2ccccc2c1CN(CC1CCOCC1)C(=O)CCl.
What is the InChIKey of 2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-(oxan-4-ylmethyl)acetamide?
The InChIKey is VUFJPIRSMDUTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO3/c1-2-17-16(15-5-3-4-6-18(15)24-17)13-21(19(22)11-20)12-14-7-9-23-10-8-14/h3-6,14H,2,7-13H2,1H3.
What are the key properties of 2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-(oxan-4-ylmethyl)acetamide?
2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-(oxan-4-ylmethyl)acetamide has a molecular weight of 349.86 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-(oxan-4-ylmethyl)acetamide is sourced from PubChem (CID 166415499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).