N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide

C20H17ClF3N3O — CID 25106742

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1nn(-c2ccc(F)cc2F)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C20H17ClF3N3O/c1-11-16(9-20(28)25-10-13-3-4-14(22)7-17(13)21)12(2)27(26-11)19-6-5-15(23)8-18(19)24/h3-8H,9-10H2,1-2H3,(H,25,28)
InChIKeyFERPTKDTDOHYAF-UHFFFAOYSA-N
MW407.82 g/mol
LogP4.42
Rot. Bonds5

About N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide

N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide (PubChem CID 25106742) has the molecular formula C20H17ClF3N3O and a molecular weight of 407.82 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
PubChem CID25106742
Molecular FormulaC20H17ClF3N3O
Molecular Weight407.82 g/mol
Exact Mass407.10
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1nn(-c2ccc(F)cc2F)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C20H17ClF3N3O/c1-11-16(9-20(28)25-10-13-3-4-14(22)7-17(13)21)12(2)27(26-11)19-6-5-15(23)8-18(19)24/h3-8H,9-10H2,1-2H3,(H,25,28)
InChIKeyFERPTKDTDOHYAF-UHFFFAOYSA-N
XLogP4.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.82
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide (CID 25106742) is N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide is Cc1nn(-c2ccc(F)cc2F)c(C)c1CC(=O)NCc1ccc(F)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The InChIKey is FERPTKDTDOHYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF3N3O/c1-11-16(9-20(28)25-10-13-3-4-14(22)7-17(13)21)12(2)27(26-11)19-6-5-15(23)8-18(19)24/h3-8H,9-10H2,1-2H3,(H,25,28).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide has a molecular weight of 407.82 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide is sourced from PubChem (CID 25106742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).