2-(2-chloro-4-fluorophenoxy)-N-methoxy-N-methylacetamide

C10H11ClFNO3 — CID 60652409

IUPAC2-(2-chloro-4-fluorophenoxy)-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)COc1ccc(F)cc1Cl
InChIInChI=1S/C10H11ClFNO3/c1-13(15-2)10(14)6-16-9-4-3-7(12)5-8(9)11/h3-5H,6H2,1-2H3
InChIKeyYXXKURLDYCLLQF-UHFFFAOYSA-N
MW247.65 g/mol
LogP1.88
Rot. Bonds4

About 2-(2-chloro-4-fluorophenoxy)-N-methoxy-N-methylacetamide

2-(2-chloro-4-fluorophenoxy)-N-methoxy-N-methylacetamide (PubChem CID 60652409) has the molecular formula C10H11ClFNO3 and a molecular weight of 247.65 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N-methoxy-N-methylacetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N-methoxy-N-methylacetamide
PubChem CID60652409
Molecular FormulaC10H11ClFNO3
Molecular Weight247.65 g/mol
Exact Mass247.04
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)COc1ccc(F)cc1Cl
InChIInChI=1S/C10H11ClFNO3/c1-13(15-2)10(14)6-16-9-4-3-7(12)5-8(9)11/h3-5H,6H2,1-2H3
InChIKeyYXXKURLDYCLLQF-UHFFFAOYSA-N
XLogP1.88
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.65
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(2-chloro-4-fluorophenoxy)acetyl]-methylamino]propanoic acid
CID 55097258
methyl 4-[[2-(2-chloro-4-fluorophenoxy)acetyl]-methylamino]butanoate
CID 60714443
2-(2-chloro-4-fluorophenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 112778718
2-(2-chloro-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441205
N-tert-butyl-2-[[2-(2-chloro-4-fluorophenoxy)acetyl]-methylamino]acetamide
CID 18118150
2-(2-chloro-4-fluorophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 17438542
2-[[2-(2-chloro-4-fluorophenoxy)acetyl]-prop-2-ynylamino]acetic acid
CID 79279200
methyl 3-(2-chloro-4-fluorophenoxy)-2,2-dimethylpropanoate
CID 79622181
2-(3,5-difluorophenoxy)-N-methoxy-N-methylacetamide
CID 91620381
2-(2-chloro-4-fluorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 55313801
2-(2-chloro-4-fluorophenoxy)acetohydrazide
CID 3818760
2-(2-chloro-4-fluorophenoxy)-1-(4-ethoxyphenyl)ethanone
CID 60624554

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-methoxy-N-methylacetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-methoxy-N-methylacetamide (CID 60652409) is 2-(2-chloro-4-fluorophenoxy)-N-methoxy-N-methylacetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N-methoxy-N-methylacetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N-methoxy-N-methylacetamide is CON(C)C(=O)COc1ccc(F)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N-methoxy-N-methylacetamide?
The InChIKey is YXXKURLDYCLLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO3/c1-13(15-2)10(14)6-16-9-4-3-7(12)5-8(9)11/h3-5H,6H2,1-2H3.
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N-methoxy-N-methylacetamide?
2-(2-chloro-4-fluorophenoxy)-N-methoxy-N-methylacetamide has a molecular weight of 247.65 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-N-methoxy-N-methylacetamide is sourced from PubChem (CID 60652409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).