2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-ethyl-4-fluorophenyl)acetamide

C14H17ClFNO3 — CID 21403898

IUPAC2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-ethyl-4-fluorophenyl)acetamide
SMILESCCc1cc(F)ccc1N(CC1OCCO1)C(=O)CCl
InChIInChI=1S/C14H17ClFNO3/c1-2-10-7-11(16)3-4-12(10)17(13(18)8-15)9-14-19-5-6-20-14/h3-4,7,14H,2,5-6,8-9H2,1H3
InChIKeyQTCKAIJXZDELBN-UHFFFAOYSA-N
MW301.75 g/mol
LogP2.33
Rot. Bonds5

About 2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-ethyl-4-fluorophenyl)acetamide

2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-ethyl-4-fluorophenyl)acetamide (PubChem CID 21403898) has the molecular formula C14H17ClFNO3 and a molecular weight of 301.75 g/mol. Its IUPAC name is 2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-ethyl-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-ethyl-4-fluorophenyl)acetamide
PubChem CID21403898
Molecular FormulaC14H17ClFNO3
Molecular Weight301.75 g/mol
Exact Mass301.09
IUPAC Name2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-ethyl-4-fluorophenyl)acetamide
SMILESCCc1cc(F)ccc1N(CC1OCCO1)C(=O)CCl
InChIInChI=1S/C14H17ClFNO3/c1-2-10-7-11(16)3-4-12(10)17(13(18)8-15)9-14-19-5-6-20-14/h3-4,7,14H,2,5-6,8-9H2,1H3
InChIKeyQTCKAIJXZDELBN-UHFFFAOYSA-N
XLogP2.33
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-ethyl-4-fluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-ethyl-4-fluorophenyl)acetamide?
The IUPAC name of 2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-ethyl-4-fluorophenyl)acetamide (CID 21403898) is 2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-ethyl-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-ethyl-4-fluorophenyl)acetamide?
The canonical SMILES for 2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-ethyl-4-fluorophenyl)acetamide is CCc1cc(F)ccc1N(CC1OCCO1)C(=O)CCl.
What is the InChIKey of 2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-ethyl-4-fluorophenyl)acetamide?
The InChIKey is QTCKAIJXZDELBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO3/c1-2-10-7-11(16)3-4-12(10)17(13(18)8-15)9-14-19-5-6-20-14/h3-4,7,14H,2,5-6,8-9H2,1H3.
What are the key properties of 2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-ethyl-4-fluorophenyl)acetamide?
2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-ethyl-4-fluorophenyl)acetamide has a molecular weight of 301.75 g/mol, XLogP of 2.33, 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-4-fluorophenyl)acetamide is sourced from PubChem (CID 21403898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).