N-(2,4-dichlorophenyl)-2-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypropanamide

C15H14Cl2F3N3O2 — CID 2801294

IUPACN-(2,4-dichlorophenyl)-2-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypropanamide
SMILESCn1nc(OC(C)(C)C(=O)Nc2ccc(Cl)cc2Cl)cc1C(F)(F)F
InChIInChI=1S/C15H14Cl2F3N3O2/c1-14(2,13(24)21-10-5-4-8(16)6-9(10)17)25-12-7-11(15(18,19)20)23(3)22-12/h4-7H,1-3H3,(H,21,24)
InChIKeyYZHWMTUGAFVHQC-UHFFFAOYSA-N
MW396.20 g/mol
LogP4.54
Rot. Bonds4

About N-(2,4-dichlorophenyl)-2-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypropanamide

N-(2,4-dichlorophenyl)-2-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypropanamide (PubChem CID 2801294) has the molecular formula C15H14Cl2F3N3O2 and a molecular weight of 396.20 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypropanamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypropanamide
PubChem CID2801294
Molecular FormulaC15H14Cl2F3N3O2
Molecular Weight396.20 g/mol
Exact Mass395.04
IUPAC NameN-(2,4-dichlorophenyl)-2-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypropanamide
SMILESCn1nc(OC(C)(C)C(=O)Nc2ccc(Cl)cc2Cl)cc1C(F)(F)F
InChIInChI=1S/C15H14Cl2F3N3O2/c1-14(2,13(24)21-10-5-4-8(16)6-9(10)17)25-12-7-11(15(18,19)20)23(3)22-12/h4-7H,1-3H3,(H,21,24)
InChIKeyYZHWMTUGAFVHQC-UHFFFAOYSA-N
XLogP4.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.20
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypropanamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypropanamide (CID 2801294) is N-(2,4-dichlorophenyl)-2-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypropanamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypropanamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypropanamide is Cn1nc(OC(C)(C)C(=O)Nc2ccc(Cl)cc2Cl)cc1C(F)(F)F.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypropanamide?
The InChIKey is YZHWMTUGAFVHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2F3N3O2/c1-14(2,13(24)21-10-5-4-8(16)6-9(10)17)25-12-7-11(15(18,19)20)23(3)22-12/h4-7H,1-3H3,(H,21,24).
What are the key properties of N-(2,4-dichlorophenyl)-2-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypropanamide?
N-(2,4-dichlorophenyl)-2-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypropanamide has a molecular weight of 396.20 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypropanamide is sourced from PubChem (CID 2801294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).