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

C14H18ClNO3 — CID 21403917

IUPAC2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1N(CC1OCCO1)C(=O)CCl
InChIInChI=1S/C14H18ClNO3/c1-2-11-5-3-4-6-12(11)16(13(17)9-15)10-14-18-7-8-19-14/h3-6,14H,2,7-10H2,1H3
InChIKeySKRAIOGSFFWQTN-UHFFFAOYSA-N
MW283.76 g/mol
LogP2.19
Rot. Bonds5

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

2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-ethylphenyl)acetamide (PubChem CID 21403917) has the molecular formula C14H18ClNO3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-ethylphenyl)acetamide
PubChem CID21403917
Molecular FormulaC14H18ClNO3
Molecular Weight283.76 g/mol
Exact Mass283.10
IUPAC Name2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1N(CC1OCCO1)C(=O)CCl
InChIInChI=1S/C14H18ClNO3/c1-2-11-5-3-4-6-12(11)16(13(17)9-15)10-14-18-7-8-19-14/h3-6,14H,2,7-10H2,1H3
InChIKeySKRAIOGSFFWQTN-UHFFFAOYSA-N
XLogP2.19
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 52.19
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-ethylphenyl)acetamide?
The IUPAC name of 2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-ethylphenyl)acetamide (CID 21403917) is 2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-ethylphenyl)acetamide is CCc1ccccc1N(CC1OCCO1)C(=O)CCl.
What is the InChIKey of 2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-ethylphenyl)acetamide?
The InChIKey is SKRAIOGSFFWQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-2-11-5-3-4-6-12(11)16(13(17)9-15)10-14-18-7-8-19-14/h3-6,14H,2,7-10H2,1H3.
What are the key properties of 2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-ethylphenyl)acetamide?
2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-ethylphenyl)acetamide has a molecular weight of 283.76 g/mol, XLogP of 2.19, 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-ethylphenyl)acetamide is sourced from PubChem (CID 21403917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).