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

C20H18Cl2FN3O — CID 25106743

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C20H18Cl2FN3O/c1-12-18(13(2)26(25-12)17-7-4-15(21)5-8-17)10-20(27)24-11-14-3-6-16(23)9-19(14)22/h3-9H,10-11H2,1-2H3,(H,24,27)
InChIKeyRZIIKRMSNFRYPM-UHFFFAOYSA-N
MW406.29 g/mol
LogP4.79
Rot. Bonds5

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

N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide (PubChem CID 25106743) has the molecular formula C20H18Cl2FN3O and a molecular weight of 406.29 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
PubChem CID25106743
Molecular FormulaC20H18Cl2FN3O
Molecular Weight406.29 g/mol
Exact Mass405.08
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C20H18Cl2FN3O/c1-12-18(13(2)26(25-12)17-7-4-15(21)5-8-17)10-20(27)24-11-14-3-6-16(23)9-19(14)22/h3-9H,10-11H2,1-2H3,(H,24,27)
InChIKeyRZIIKRMSNFRYPM-UHFFFAOYSA-N
XLogP4.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.29
LogP ≤ 54.79
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-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide (CID 25106743) is N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide is Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The InChIKey is RZIIKRMSNFRYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2FN3O/c1-12-18(13(2)26(25-12)17-7-4-15(21)5-8-17)10-20(27)24-11-14-3-6-16(23)9-19(14)22/h3-9H,10-11H2,1-2H3,(H,24,27).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide has a molecular weight of 406.29 g/mol, XLogP of 4.79, 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-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide is sourced from PubChem (CID 25106743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).