N-(2,6-dichlorophenyl)-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide

C13H11Cl2F2N3O — CID 19516489

IUPACN-(2,6-dichlorophenyl)-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide
SMILESCc1cc(C(F)F)n(CC(=O)Nc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C13H11Cl2F2N3O/c1-7-5-10(13(16)17)20(19-7)6-11(21)18-12-8(14)3-2-4-9(12)15/h2-5,13H,6H2,1H3,(H,18,21)
InChIKeyODVXSLCPUANCFK-UHFFFAOYSA-N
MW334.15 g/mol
LogP4.07
Rot. Bonds4

About N-(2,6-dichlorophenyl)-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide

N-(2,6-dichlorophenyl)-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide (PubChem CID 19516489) has the molecular formula C13H11Cl2F2N3O and a molecular weight of 334.15 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide
PubChem CID19516489
Molecular FormulaC13H11Cl2F2N3O
Molecular Weight334.15 g/mol
Exact Mass333.02
IUPAC NameN-(2,6-dichlorophenyl)-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide
SMILESCc1cc(C(F)F)n(CC(=O)Nc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C13H11Cl2F2N3O/c1-7-5-10(13(16)17)20(19-7)6-11(21)18-12-8(14)3-2-4-9(12)15/h2-5,13H,6H2,1H3,(H,18,21)
InChIKeyODVXSLCPUANCFK-UHFFFAOYSA-N
XLogP4.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.15
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide
CID 19516578
N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide
CID 19516484
N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide
CID 19516658
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2,6-dichlorophenyl)acetamide
CID 19520254
N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide
CID 19516665
N-[4-(difluoromethoxy)-2-methylphenyl]-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide
CID 19516634
2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19516676
N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide
CID 19516690
2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide
CID 19516753
N-(2,6-dichlorophenyl)-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19524213
2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 19516666
N-[3-(2,4-dichlorophenoxy)-5-nitrophenyl]-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide
CID 19516594

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide (CID 19516489) is N-(2,6-dichlorophenyl)-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide is Cc1cc(C(F)F)n(CC(=O)Nc2c(Cl)cccc2Cl)n1.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide?
The InChIKey is ODVXSLCPUANCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2F2N3O/c1-7-5-10(13(16)17)20(19-7)6-11(21)18-12-8(14)3-2-4-9(12)15/h2-5,13H,6H2,1H3,(H,18,21).
What are the key properties of N-(2,6-dichlorophenyl)-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide?
N-(2,6-dichlorophenyl)-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide has a molecular weight of 334.15 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide is sourced from PubChem (CID 19516489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).