2-[2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenoxy]-N-methylpropanamide

C15H13Cl2F4N3O2 — CID 19436763

IUPAC2-[2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenoxy]-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1cc(-c2nn(C)c(C(F)(F)F)c2Cl)c(F)cc1Cl
InChIInChI=1S/C15H13Cl2F4N3O2/c1-6(14(25)22-2)26-10-4-7(9(18)5-8(10)16)12-11(17)13(15(19,20)21)24(3)23-12/h4-6H,1-3H3,(H,22,25)
InChIKeyYVMCSAKBECJXKS-UHFFFAOYSA-N
MW414.19 g/mol
LogP4.07
Rot. Bonds4

About 2-[2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenoxy]-N-methylpropanamide

2-[2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenoxy]-N-methylpropanamide (PubChem CID 19436763) has the molecular formula C15H13Cl2F4N3O2 and a molecular weight of 414.19 g/mol. Its IUPAC name is 2-[2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenoxy]-N-methylpropanamide.

Molecular Properties

Compound Name2-[2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenoxy]-N-methylpropanamide
PubChem CID19436763
Molecular FormulaC15H13Cl2F4N3O2
Molecular Weight414.19 g/mol
Exact Mass413.03
IUPAC Name2-[2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenoxy]-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1cc(-c2nn(C)c(C(F)(F)F)c2Cl)c(F)cc1Cl
InChIInChI=1S/C15H13Cl2F4N3O2/c1-6(14(25)22-2)26-10-4-7(9(18)5-8(10)16)12-11(17)13(15(19,20)21)24(3)23-12/h4-6H,1-3H3,(H,22,25)
InChIKeyYVMCSAKBECJXKS-UHFFFAOYSA-N
XLogP4.07
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.19
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyraflufen-ethyl
CID 182951
Pyraflufen
CID 15672202
4-Chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(difluoromethoxy)-1-methyl-1H-pyrazole
CID 22392595
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-chloro-4-fluorophenoxy)acetamide
CID 8944249
4-Chloro-3-[4-chloro-2-fluoro-5-(4-methoxybut-2-ynoxy)phenyl]-5-(difluoromethoxy)-1-methylpyrazole
CID 11407189
3-(4-Chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole
CID 11439056
2-[5-(4-chloro-5-difluoromethoxy-1-methyl-1H-pyrazole-3-yl)-2,4-dichlorophenoxy]propionyl chloride
CID 15030575
4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-(1-methylethyl)-5-(trifluoromethyl)-1H-pyrazole
CID 15278581
4-Chloro-3-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole
CID 15390078
1-Methyl-3-(2-fluoro-4-chloro-5-methoxyphenyl)-5-trifluoromethyl-1H-pyrazole
CID 15525676
Methyl 2-[2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenoxy]acetate
CID 15672045
Propyl 2-[2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenoxy]acetate
CID 15672046

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenoxy]-N-methylpropanamide?
The IUPAC name of 2-[2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenoxy]-N-methylpropanamide (CID 19436763) is 2-[2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenoxy]-N-methylpropanamide.
What is the SMILES notation for 2-[2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenoxy]-N-methylpropanamide?
The canonical SMILES for 2-[2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenoxy]-N-methylpropanamide is CNC(=O)C(C)Oc1cc(-c2nn(C)c(C(F)(F)F)c2Cl)c(F)cc1Cl.
What is the InChIKey of 2-[2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenoxy]-N-methylpropanamide?
The InChIKey is YVMCSAKBECJXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2F4N3O2/c1-6(14(25)22-2)26-10-4-7(9(18)5-8(10)16)12-11(17)13(15(19,20)21)24(3)23-12/h4-6H,1-3H3,(H,22,25).
What are the key properties of 2-[2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenoxy]-N-methylpropanamide?
2-[2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenoxy]-N-methylpropanamide has a molecular weight of 414.19 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenoxy]-N-methylpropanamide is sourced from PubChem (CID 19436763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).