2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-ethyl-3-methylphenyl)acetamide

C15H20ClNO3 — CID 21403949

IUPAC2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-ethyl-3-methylphenyl)acetamide
SMILESCCc1c(C)cccc1N(CC1OCCO1)C(=O)CCl
InChIInChI=1S/C15H20ClNO3/c1-3-12-11(2)5-4-6-13(12)17(14(18)9-16)10-15-19-7-8-20-15/h4-6,15H,3,7-10H2,1-2H3
InChIKeyVXXZZPAHYONZRH-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.50
Rot. Bonds5

About 2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-ethyl-3-methylphenyl)acetamide

2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-ethyl-3-methylphenyl)acetamide (PubChem CID 21403949) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-ethyl-3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-ethyl-3-methylphenyl)acetamide
PubChem CID21403949
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-ethyl-3-methylphenyl)acetamide
SMILESCCc1c(C)cccc1N(CC1OCCO1)C(=O)CCl
InChIInChI=1S/C15H20ClNO3/c1-3-12-11(2)5-4-6-13(12)17(14(18)9-16)10-15-19-7-8-20-15/h4-6,15H,3,7-10H2,1-2H3
InChIKeyVXXZZPAHYONZRH-UHFFFAOYSA-N
XLogP2.50
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.50
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-(1,3-dioxolan-2-ylmethyl)-N-(2-ethyl-3-methylphenyl)acetamide?
The IUPAC name of 2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-ethyl-3-methylphenyl)acetamide (CID 21403949) is 2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-ethyl-3-methylphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-ethyl-3-methylphenyl)acetamide?
The canonical SMILES for 2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-ethyl-3-methylphenyl)acetamide is CCc1c(C)cccc1N(CC1OCCO1)C(=O)CCl.
What is the InChIKey of 2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-ethyl-3-methylphenyl)acetamide?
The InChIKey is VXXZZPAHYONZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-3-12-11(2)5-4-6-13(12)17(14(18)9-16)10-15-19-7-8-20-15/h4-6,15H,3,7-10H2,1-2H3.
What are the key properties of 2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-ethyl-3-methylphenyl)acetamide?
2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-ethyl-3-methylphenyl)acetamide has a molecular weight of 297.78 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-ethyl-3-methylphenyl)acetamide is sourced from PubChem (CID 21403949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).