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

C15H20ClNO3 — CID 21403973

IUPAC2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-propylphenyl)acetamide
SMILESCCCc1ccccc1N(CC1OCCO1)C(=O)CCl
InChIInChI=1S/C15H20ClNO3/c1-2-5-12-6-3-4-7-13(12)17(14(18)10-16)11-15-19-8-9-20-15/h3-4,6-7,15H,2,5,8-11H2,1H3
InChIKeyDYVIHGQGOQPTKM-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.58
Rot. Bonds6

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

2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-propylphenyl)acetamide (PubChem CID 21403973) 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-propylphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-propylphenyl)acetamide
PubChem CID21403973
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-propylphenyl)acetamide
SMILESCCCc1ccccc1N(CC1OCCO1)C(=O)CCl
InChIInChI=1S/C15H20ClNO3/c1-2-5-12-6-3-4-7-13(12)17(14(18)10-16)11-15-19-8-9-20-15/h3-4,6-7,15H,2,5,8-11H2,1H3
InChIKeyDYVIHGQGOQPTKM-UHFFFAOYSA-N
XLogP2.58
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.58
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-propylphenyl)acetamide?
The IUPAC name of 2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-propylphenyl)acetamide (CID 21403973) is 2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-propylphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-propylphenyl)acetamide?
The canonical SMILES for 2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-propylphenyl)acetamide is CCCc1ccccc1N(CC1OCCO1)C(=O)CCl.
What is the InChIKey of 2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-propylphenyl)acetamide?
The InChIKey is DYVIHGQGOQPTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-2-5-12-6-3-4-7-13(12)17(14(18)10-16)11-15-19-8-9-20-15/h3-4,6-7,15H,2,5,8-11H2,1H3.
What are the key properties of 2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-propylphenyl)acetamide?
2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-propylphenyl)acetamide has a molecular weight of 297.78 g/mol, XLogP of 2.58, 6 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-propylphenyl)acetamide is sourced from PubChem (CID 21403973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).