N-(4-chloro-2,6-difluorophenyl)-2-(2-phenoxyethoxy)acetamide

C16H14ClF2NO3 — CID 75443246

IUPACN-(4-chloro-2,6-difluorophenyl)-2-(2-phenoxyethoxy)acetamide
SMILESO=C(COCCOc1ccccc1)Nc1c(F)cc(Cl)cc1F
InChIInChI=1S/C16H14ClF2NO3/c17-11-8-13(18)16(14(19)9-11)20-15(21)10-22-6-7-23-12-4-2-1-3-5-12/h1-5,8-9H,6-7,10H2,(H,20,21)
InChIKeyOCFACDFTYZBOAX-UHFFFAOYSA-N
MW341.74 g/mol
LogP3.65
Rot. Bonds7

About N-(4-chloro-2,6-difluorophenyl)-2-(2-phenoxyethoxy)acetamide

N-(4-chloro-2,6-difluorophenyl)-2-(2-phenoxyethoxy)acetamide (PubChem CID 75443246) has the molecular formula C16H14ClF2NO3 and a molecular weight of 341.74 g/mol. Its IUPAC name is N-(4-chloro-2,6-difluorophenyl)-2-(2-phenoxyethoxy)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2,6-difluorophenyl)-2-(2-phenoxyethoxy)acetamide
PubChem CID75443246
Molecular FormulaC16H14ClF2NO3
Molecular Weight341.74 g/mol
Exact Mass341.06
IUPAC NameN-(4-chloro-2,6-difluorophenyl)-2-(2-phenoxyethoxy)acetamide
SMILESO=C(COCCOc1ccccc1)Nc1c(F)cc(Cl)cc1F
InChIInChI=1S/C16H14ClF2NO3/c17-11-8-13(18)16(14(19)9-11)20-15(21)10-22-6-7-23-12-4-2-1-3-5-12/h1-5,8-9H,6-7,10H2,(H,20,21)
InChIKeyOCFACDFTYZBOAX-UHFFFAOYSA-N
XLogP3.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.74
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-chloro-2,6-difluorophenyl)-2-(2-phenoxyethoxy)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

N-(2-hydroxyethyl)-2-(2-phenoxyethoxy)acetamide
CID 78883192
N-(4-fluoro-2-methoxyphenyl)-2-(2-phenoxyethoxy)acetamide
CID 86998252
N-(4-methylsulfanylphenyl)-2-(2-phenoxyethoxy)acetamide
CID 46485144
N-(3-chloro-4-fluorophenyl)-2-phenoxyacetamide
CID 924892
1-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)ethanone
CID 43798625
[2-(2,6-difluoroanilino)-2-oxoethyl] 4-phenoxybutanoate
CID 7186275
N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(2-phenoxyethoxy)acetamide
CID 47045190
N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-phenoxyethoxy)acetamide
CID 55761188
2-(2-phenoxyethoxy)-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 55759707
N-(3,5-dichlorophenyl)-3-phenoxypropanamide
CID 26591488
1-(2-fluorophenyl)-3-(2-phenoxyethoxy)propan-2-one
CID 43798579
N-[4-chloro-2-[(2-phenoxyacetyl)amino]phenyl]-2-phenoxyacetamide
CID 1247989

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,6-difluorophenyl)-2-(2-phenoxyethoxy)acetamide?
The IUPAC name of N-(4-chloro-2,6-difluorophenyl)-2-(2-phenoxyethoxy)acetamide (CID 75443246) is N-(4-chloro-2,6-difluorophenyl)-2-(2-phenoxyethoxy)acetamide.
What is the SMILES notation for N-(4-chloro-2,6-difluorophenyl)-2-(2-phenoxyethoxy)acetamide?
The canonical SMILES for N-(4-chloro-2,6-difluorophenyl)-2-(2-phenoxyethoxy)acetamide is O=C(COCCOc1ccccc1)Nc1c(F)cc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2,6-difluorophenyl)-2-(2-phenoxyethoxy)acetamide?
The InChIKey is OCFACDFTYZBOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2NO3/c17-11-8-13(18)16(14(19)9-11)20-15(21)10-22-6-7-23-12-4-2-1-3-5-12/h1-5,8-9H,6-7,10H2,(H,20,21).
What are the key properties of N-(4-chloro-2,6-difluorophenyl)-2-(2-phenoxyethoxy)acetamide?
N-(4-chloro-2,6-difluorophenyl)-2-(2-phenoxyethoxy)acetamide has a molecular weight of 341.74 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,6-difluorophenyl)-2-(2-phenoxyethoxy)acetamide is sourced from PubChem (CID 75443246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).