2-(3-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide

C16H14ClF2NO2 — CID 112778755

IUPAC2-(3-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(F)cc1)C(=O)COc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H14ClF2NO2/c1-20(9-11-2-4-12(18)5-3-11)16(21)10-22-13-6-7-15(19)14(17)8-13/h2-8H,9-10H2,1H3
InChIKeyLBMUKNGAJZSFRY-UHFFFAOYSA-N
MW325.74 g/mol
LogP3.66
Rot. Bonds5

About 2-(3-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide

2-(3-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 112778755) has the molecular formula C16H14ClF2NO2 and a molecular weight of 325.74 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
PubChem CID112778755
Molecular FormulaC16H14ClF2NO2
Molecular Weight325.74 g/mol
Exact Mass325.07
IUPAC Name2-(3-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(F)cc1)C(=O)COc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H14ClF2NO2/c1-20(9-11-2-4-12(18)5-3-11)16(21)10-22-13-6-7-15(19)14(17)8-13/h2-8H,9-10H2,1H3
InChIKeyLBMUKNGAJZSFRY-UHFFFAOYSA-N
XLogP3.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.74
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-fluorophenoxy)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide
CID 55555870
N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 78762371
2-(4-aminophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 10085503
N-[(4-cyanophenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 39858491
2-(2-chloro-5-methylphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 112775473
2-(4-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 78801070
N-benzyl-2-(3-chloro-4-fluorophenoxy)-N-ethylacetamide
CID 112778759
2-(3,5-dichlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 112778072
2-(2-chloro-4-fluorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 55313801
2-(3-chloro-4-fluorophenoxy)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide
CID 99605001
N-[(4-fluorophenyl)methyl]-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16524874
N-benzyl-2-(3-fluorophenoxy)-N-methylacetamide
CID 110755450

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide (CID 112778755) is 2-(3-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide is CN(Cc1ccc(F)cc1)C(=O)COc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is LBMUKNGAJZSFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2NO2/c1-20(9-11-2-4-12(18)5-3-11)16(21)10-22-13-6-7-15(19)14(17)8-13/h2-8H,9-10H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
2-(3-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 325.74 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 112778755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).