2-[2-chloro-5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]-N-methylacetamide

C14H13ClF3N3O3 — CID 101148256

IUPAC2-[2-chloro-5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]-N-methylacetamide
SMILESCNC(=O)COc1cc(-c2cc(OC(F)F)n(C)n2)c(F)cc1Cl
InChIInChI=1S/C14H13ClF3N3O3/c1-19-12(22)6-23-11-3-7(9(16)4-8(11)15)10-5-13(21(2)20-10)24-14(17)18/h3-5,14H,6H2,1-2H3,(H,19,22)
InChIKeyQHYKPVDGURYEMP-UHFFFAOYSA-N
MW363.72 g/mol
LogP2.61
Rot. Bonds6

About 2-[2-chloro-5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]-N-methylacetamide

2-[2-chloro-5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]-N-methylacetamide (PubChem CID 101148256) has the molecular formula C14H13ClF3N3O3 and a molecular weight of 363.72 g/mol. Its IUPAC name is 2-[2-chloro-5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-chloro-5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]-N-methylacetamide
PubChem CID101148256
Molecular FormulaC14H13ClF3N3O3
Molecular Weight363.72 g/mol
Exact Mass363.06
IUPAC Name2-[2-chloro-5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]-N-methylacetamide
SMILESCNC(=O)COc1cc(-c2cc(OC(F)F)n(C)n2)c(F)cc1Cl
InChIInChI=1S/C14H13ClF3N3O3/c1-19-12(22)6-23-11-3-7(9(16)4-8(11)15)10-5-13(21(2)20-10)24-14(17)18/h3-5,14H,6H2,1-2H3,(H,19,22)
InChIKeyQHYKPVDGURYEMP-UHFFFAOYSA-N
XLogP2.61
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.72
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-chloro-4-fluoro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenoxy]acetate
CID 151942591
(E)-4-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]-3-methoxybut-2-enoic acid
CID 68933465
2-[2-chloro-5-(2-chloroacetyl)-4-fluorophenoxy]-N-methylacetamide
CID 22359307
2-[2-chloro-5-[4-chloro-5-(difluoromethyl)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetic acid
CID 172823112
4-chloro-3-(4-chloro-2-fluoro-5-prop-2-enoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole
CID 15672198
methyl 2-[2-chloro-4-fluoro-5-[1-methyl-4-oxo-6-(trifluoromethyl)pyridazin-3-yl]phenoxy]acetate
CID 145267015
methyl 2-[2-chloro-5-[5-chloro-1-(difluoromethyl)-2-methylimidazol-4-yl]-4-fluorophenoxy]acetate
CID 19959935
3-chloro-4-[2-(methylamino)-2-oxoethoxy]benzoic acid
CID 60693388
(2R)-2-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]propanoic acid
CID 54991090
methyl 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-1,3-dimethylpyrazole-5-carboxylate
CID 95749035
2-[[2-[2-chloro-5-(3,5-dimethyl-2,6-dioxo-4-sulfanyl-1,3,5-triazinan-1-yl)-4-fluorophenoxy]acetyl]amino]acetic acid
CID 175547568
3-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 70106165

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]-N-methylacetamide?
The IUPAC name of 2-[2-chloro-5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]-N-methylacetamide (CID 101148256) is 2-[2-chloro-5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[2-chloro-5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]-N-methylacetamide?
The canonical SMILES for 2-[2-chloro-5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]-N-methylacetamide is CNC(=O)COc1cc(-c2cc(OC(F)F)n(C)n2)c(F)cc1Cl.
What is the InChIKey of 2-[2-chloro-5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]-N-methylacetamide?
The InChIKey is QHYKPVDGURYEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3N3O3/c1-19-12(22)6-23-11-3-7(9(16)4-8(11)15)10-5-13(21(2)20-10)24-14(17)18/h3-5,14H,6H2,1-2H3,(H,19,22).
What are the key properties of 2-[2-chloro-5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]-N-methylacetamide?
2-[2-chloro-5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]-N-methylacetamide has a molecular weight of 363.72 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]-N-methylacetamide is sourced from PubChem (CID 101148256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).