2-(2-chloro-4-fluorophenoxy)-N-(2-methylpropoxy)acetamide

C12H15ClFNO3 — CID 115410094

IUPAC2-(2-chloro-4-fluorophenoxy)-N-(2-methylpropoxy)acetamide
SMILESCC(C)CONC(=O)COc1ccc(F)cc1Cl
InChIInChI=1S/C12H15ClFNO3/c1-8(2)6-18-15-12(16)7-17-11-4-3-9(14)5-10(11)13/h3-5,8H,6-7H2,1-2H3,(H,15,16)
InChIKeyUPDWTLQGMNFFKN-UHFFFAOYSA-N
MW275.71 g/mol
LogP2.56
Rot. Bonds6

About 2-(2-chloro-4-fluorophenoxy)-N-(2-methylpropoxy)acetamide

2-(2-chloro-4-fluorophenoxy)-N-(2-methylpropoxy)acetamide (PubChem CID 115410094) has the molecular formula C12H15ClFNO3 and a molecular weight of 275.71 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N-(2-methylpropoxy)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N-(2-methylpropoxy)acetamide
PubChem CID115410094
Molecular FormulaC12H15ClFNO3
Molecular Weight275.71 g/mol
Exact Mass275.07
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N-(2-methylpropoxy)acetamide
SMILESCC(C)CONC(=O)COc1ccc(F)cc1Cl
InChIInChI=1S/C12H15ClFNO3/c1-8(2)6-18-15-12(16)7-17-11-4-3-9(14)5-10(11)13/h3-5,8H,6-7H2,1-2H3,(H,15,16)
InChIKeyUPDWTLQGMNFFKN-UHFFFAOYSA-N
XLogP2.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-chloro-4-fluorophenoxy)-N-(2-methylpropoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chloro-4-fluorophenoxy)acetohydrazide
CID 3818760
2-(2-chloro-4-fluorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide
CID 115744446
2-(2-hydroxyphenoxy)-N-(2-methylpropoxy)acetamide
CID 115410289
2-(2-chloro-4-fluorophenoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 46440609
2-(2-chloro-4-fluorophenoxy)-N-propylacetamide
CID 60624592
N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 9428452
N-(3-acetamidophenyl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 17172943
2-(2-chloro-4-fluorophenoxy)-N-(2-chloroprop-2-enyl)acetamide
CID 115636624
2-(2-chloro-4-fluorophenoxy)-N-(4-methylphenyl)acetamide
CID 9402450
2-(2-chloro-4-fluorophenoxy)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
CID 103801304
2-(2-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 9427637
2-(2-chloro-4-fluorophenoxy)-N-(2,5-difluorophenyl)acetamide
CID 30273064

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-(2-methylpropoxy)acetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-(2-methylpropoxy)acetamide (CID 115410094) is 2-(2-chloro-4-fluorophenoxy)-N-(2-methylpropoxy)acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N-(2-methylpropoxy)acetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N-(2-methylpropoxy)acetamide is CC(C)CONC(=O)COc1ccc(F)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N-(2-methylpropoxy)acetamide?
The InChIKey is UPDWTLQGMNFFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO3/c1-8(2)6-18-15-12(16)7-17-11-4-3-9(14)5-10(11)13/h3-5,8H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N-(2-methylpropoxy)acetamide?
2-(2-chloro-4-fluorophenoxy)-N-(2-methylpropoxy)acetamide has a molecular weight of 275.71 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-N-(2-methylpropoxy)acetamide is sourced from PubChem (CID 115410094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).