2-chloro-2-fluoro-N-[2-(3-fluorophenoxy)ethyl]acetamide

C10H10ClF2NO2 — CID 166427822

IUPAC2-chloro-2-fluoro-N-[2-(3-fluorophenoxy)ethyl]acetamide
SMILESO=C(NCCOc1cccc(F)c1)C(F)Cl
InChIInChI=1S/C10H10ClF2NO2/c11-9(13)10(15)14-4-5-16-8-3-1-2-7(12)6-8/h1-3,6,9H,4-5H2,(H,14,15)
InChIKeyDHSJZJHLCJRFGR-UHFFFAOYSA-N
MW249.64 g/mol
LogP1.86
Rot. Bonds5

About 2-chloro-2-fluoro-N-[2-(3-fluorophenoxy)ethyl]acetamide

2-chloro-2-fluoro-N-[2-(3-fluorophenoxy)ethyl]acetamide (PubChem CID 166427822) has the molecular formula C10H10ClF2NO2 and a molecular weight of 249.64 g/mol. Its IUPAC name is 2-chloro-2-fluoro-N-[2-(3-fluorophenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-2-fluoro-N-[2-(3-fluorophenoxy)ethyl]acetamide
PubChem CID166427822
Molecular FormulaC10H10ClF2NO2
Molecular Weight249.64 g/mol
Exact Mass249.04
IUPAC Name2-chloro-2-fluoro-N-[2-(3-fluorophenoxy)ethyl]acetamide
SMILESO=C(NCCOc1cccc(F)c1)C(F)Cl
InChIInChI=1S/C10H10ClF2NO2/c11-9(13)10(15)14-4-5-16-8-3-1-2-7(12)6-8/h1-3,6,9H,4-5H2,(H,14,15)
InChIKeyDHSJZJHLCJRFGR-UHFFFAOYSA-N
XLogP1.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.64
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[2-(3-fluorophenoxy)ethyl]carbamate
CID 110477679
2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylbutanamide
CID 110481408
(2S)-2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylpentanamide
CID 110482529
(2S)-2-(3-fluorophenoxy)-N-(2-phenoxyethyl)propanamide
CID 30865784
1-N,4-N-bis[2-(3-fluorophenoxy)ethyl]benzene-1,4-dicarboxamide
CID 166196673
1-[2-(dimethylamino)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea
CID 112970330
N-[2-(3-fluorophenoxy)ethyl]-2-phenylacetamide
CID 110483020
N-[2-(3-fluorophenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113099242
1-[2-(3-fluorophenoxy)ethyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111504937
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea
CID 112970338
1-(2-ethyl-2-hydroxybutyl)-3-[2-(3-fluorophenoxy)ethyl]urea
CID 110910257
1-(4-bromo-2-methylphenyl)-3-[2-(3-fluorophenoxy)ethyl]urea
CID 112970416

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-fluoro-N-[2-(3-fluorophenoxy)ethyl]acetamide?
The IUPAC name of 2-chloro-2-fluoro-N-[2-(3-fluorophenoxy)ethyl]acetamide (CID 166427822) is 2-chloro-2-fluoro-N-[2-(3-fluorophenoxy)ethyl]acetamide.
What is the SMILES notation for 2-chloro-2-fluoro-N-[2-(3-fluorophenoxy)ethyl]acetamide?
The canonical SMILES for 2-chloro-2-fluoro-N-[2-(3-fluorophenoxy)ethyl]acetamide is O=C(NCCOc1cccc(F)c1)C(F)Cl.
What is the InChIKey of 2-chloro-2-fluoro-N-[2-(3-fluorophenoxy)ethyl]acetamide?
The InChIKey is DHSJZJHLCJRFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO2/c11-9(13)10(15)14-4-5-16-8-3-1-2-7(12)6-8/h1-3,6,9H,4-5H2,(H,14,15).
What are the key properties of 2-chloro-2-fluoro-N-[2-(3-fluorophenoxy)ethyl]acetamide?
2-chloro-2-fluoro-N-[2-(3-fluorophenoxy)ethyl]acetamide has a molecular weight of 249.64 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-fluoro-N-[2-(3-fluorophenoxy)ethyl]acetamide is sourced from PubChem (CID 166427822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).