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

C20H18ClF2N3O — CID 25106745

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1nn(-c2cccc(F)c2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C20H18ClF2N3O/c1-12-18(13(2)26(25-12)17-5-3-4-15(22)8-17)10-20(27)24-11-14-6-7-16(23)9-19(14)21/h3-9H,10-11H2,1-2H3,(H,24,27)
InChIKeyPMGNKFCTACUFLD-UHFFFAOYSA-N
MW389.83 g/mol
LogP4.28
Rot. Bonds5

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

N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide (PubChem CID 25106745) has the molecular formula C20H18ClF2N3O and a molecular weight of 389.83 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
PubChem CID25106745
Molecular FormulaC20H18ClF2N3O
Molecular Weight389.83 g/mol
Exact Mass389.11
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1nn(-c2cccc(F)c2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C20H18ClF2N3O/c1-12-18(13(2)26(25-12)17-5-3-4-15(22)8-17)10-20(27)24-11-14-6-7-16(23)9-19(14)21/h3-9H,10-11H2,1-2H3,(H,24,27)
InChIKeyPMGNKFCTACUFLD-UHFFFAOYSA-N
XLogP4.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.83
LogP ≤ 54.28
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-(3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide (CID 25106745) is N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide is Cc1nn(-c2cccc(F)c2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The InChIKey is PMGNKFCTACUFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF2N3O/c1-12-18(13(2)26(25-12)17-5-3-4-15(22)8-17)10-20(27)24-11-14-6-7-16(23)9-19(14)21/h3-9H,10-11H2,1-2H3,(H,24,27).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide has a molecular weight of 389.83 g/mol, XLogP of 4.28, 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-(3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide is sourced from PubChem (CID 25106745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).