N-(1-benzofuran-7-ylmethyl)-2-chloro-N-(oxolan-3-ylmethyl)acetamide

C16H18ClNO3 — CID 166415489

IUPACN-(1-benzofuran-7-ylmethyl)-2-chloro-N-(oxolan-3-ylmethyl)acetamide
SMILESO=C(CCl)N(Cc1cccc2ccoc12)CC1CCOC1
InChIInChI=1S/C16H18ClNO3/c17-8-15(19)18(9-12-4-6-20-11-12)10-14-3-1-2-13-5-7-21-16(13)14/h1-3,5,7,12H,4,6,8-11H2
InChIKeyKFUUZDWMEOGVMR-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.04
Rot. Bonds5

About N-(1-benzofuran-7-ylmethyl)-2-chloro-N-(oxolan-3-ylmethyl)acetamide

N-(1-benzofuran-7-ylmethyl)-2-chloro-N-(oxolan-3-ylmethyl)acetamide (PubChem CID 166415489) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-(1-benzofuran-7-ylmethyl)-2-chloro-N-(oxolan-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(1-benzofuran-7-ylmethyl)-2-chloro-N-(oxolan-3-ylmethyl)acetamide
PubChem CID166415489
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC NameN-(1-benzofuran-7-ylmethyl)-2-chloro-N-(oxolan-3-ylmethyl)acetamide
SMILESO=C(CCl)N(Cc1cccc2ccoc12)CC1CCOC1
InChIInChI=1S/C16H18ClNO3/c17-8-15(19)18(9-12-4-6-20-11-12)10-14-3-1-2-13-5-7-21-16(13)14/h1-3,5,7,12H,4,6,8-11H2
InChIKeyKFUUZDWMEOGVMR-UHFFFAOYSA-N
XLogP3.04
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.04
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 N-(1-benzofuran-7-ylmethyl)-2-chloro-N-(oxolan-3-ylmethyl)acetamide?
The IUPAC name of N-(1-benzofuran-7-ylmethyl)-2-chloro-N-(oxolan-3-ylmethyl)acetamide (CID 166415489) is N-(1-benzofuran-7-ylmethyl)-2-chloro-N-(oxolan-3-ylmethyl)acetamide.
What is the SMILES notation for N-(1-benzofuran-7-ylmethyl)-2-chloro-N-(oxolan-3-ylmethyl)acetamide?
The canonical SMILES for N-(1-benzofuran-7-ylmethyl)-2-chloro-N-(oxolan-3-ylmethyl)acetamide is O=C(CCl)N(Cc1cccc2ccoc12)CC1CCOC1.
What is the InChIKey of N-(1-benzofuran-7-ylmethyl)-2-chloro-N-(oxolan-3-ylmethyl)acetamide?
The InChIKey is KFUUZDWMEOGVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3/c17-8-15(19)18(9-12-4-6-20-11-12)10-14-3-1-2-13-5-7-21-16(13)14/h1-3,5,7,12H,4,6,8-11H2.
What are the key properties of N-(1-benzofuran-7-ylmethyl)-2-chloro-N-(oxolan-3-ylmethyl)acetamide?
N-(1-benzofuran-7-ylmethyl)-2-chloro-N-(oxolan-3-ylmethyl)acetamide has a molecular weight of 307.78 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-7-ylmethyl)-2-chloro-N-(oxolan-3-ylmethyl)acetamide is sourced from PubChem (CID 166415489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).