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

C14H18ClNO3 — CID 19834594

IUPAC2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1N(CC1OCCO1)C(=O)C(C)Cl
InChIInChI=1S/C14H18ClNO3/c1-10-5-3-4-6-12(10)16(14(17)11(2)15)9-13-18-7-8-19-13/h3-6,11,13H,7-9H2,1-2H3
InChIKeyKEGINEXNJATOIZ-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.33
Rot. Bonds4

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

2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-methylphenyl)propanamide (PubChem CID 19834594) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-methylphenyl)propanamide
PubChem CID19834594
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1N(CC1OCCO1)C(=O)C(C)Cl
InChIInChI=1S/C14H18ClNO3/c1-10-5-3-4-6-12(10)16(14(17)11(2)15)9-13-18-7-8-19-13/h3-6,11,13H,7-9H2,1-2H3
InChIKeyKEGINEXNJATOIZ-UHFFFAOYSA-N
XLogP2.33
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.33
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-methylphenyl)propanamide?
The IUPAC name of 2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-methylphenyl)propanamide (CID 19834594) is 2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-methylphenyl)propanamide?
The canonical SMILES for 2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-methylphenyl)propanamide is Cc1ccccc1N(CC1OCCO1)C(=O)C(C)Cl.
What is the InChIKey of 2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-methylphenyl)propanamide?
The InChIKey is KEGINEXNJATOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-10-5-3-4-6-12(10)16(14(17)11(2)15)9-13-18-7-8-19-13/h3-6,11,13H,7-9H2,1-2H3.
What are the key properties of 2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-methylphenyl)propanamide?
2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-methylphenyl)propanamide has a molecular weight of 283.75 g/mol, XLogP of 2.33, 4 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-methylphenyl)propanamide is sourced from PubChem (CID 19834594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).