N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-ethylphenyl)pyrazol-4-yl]acetamide

C20H19ClFN3O — CID 58157069

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-ethylphenyl)pyrazol-4-yl]acetamide
SMILESCCc1ccccc1-n1cc(CC(=O)NCc2ccc(F)cc2Cl)cn1
InChIInChI=1S/C20H19ClFN3O/c1-2-15-5-3-4-6-19(15)25-13-14(11-24-25)9-20(26)23-12-16-7-8-17(22)10-18(16)21/h3-8,10-11,13H,2,9,12H2,1H3,(H,23,26)
InChIKeySWGPNOLHFQMDOW-UHFFFAOYSA-N
MW371.84 g/mol
LogP4.09
Rot. Bonds6

About N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-ethylphenyl)pyrazol-4-yl]acetamide

N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-ethylphenyl)pyrazol-4-yl]acetamide (PubChem CID 58157069) has the molecular formula C20H19ClFN3O and a molecular weight of 371.84 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-ethylphenyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-ethylphenyl)pyrazol-4-yl]acetamide
PubChem CID58157069
Molecular FormulaC20H19ClFN3O
Molecular Weight371.84 g/mol
Exact Mass371.12
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-ethylphenyl)pyrazol-4-yl]acetamide
SMILESCCc1ccccc1-n1cc(CC(=O)NCc2ccc(F)cc2Cl)cn1
InChIInChI=1S/C20H19ClFN3O/c1-2-15-5-3-4-6-19(15)25-13-14(11-24-25)9-20(26)23-12-16-7-8-17(22)10-18(16)21/h3-8,10-11,13H,2,9,12H2,1H3,(H,23,26)
InChIKeySWGPNOLHFQMDOW-UHFFFAOYSA-N
XLogP4.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.84
LogP ≤ 54.09
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-ethylphenyl)pyrazol-4-yl]acetamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-ethylphenyl)pyrazol-4-yl]acetamide (CID 58157069) is N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-ethylphenyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-ethylphenyl)pyrazol-4-yl]acetamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-ethylphenyl)pyrazol-4-yl]acetamide is CCc1ccccc1-n1cc(CC(=O)NCc2ccc(F)cc2Cl)cn1.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-ethylphenyl)pyrazol-4-yl]acetamide?
The InChIKey is SWGPNOLHFQMDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O/c1-2-15-5-3-4-6-19(15)25-13-14(11-24-25)9-20(26)23-12-16-7-8-17(22)10-18(16)21/h3-8,10-11,13H,2,9,12H2,1H3,(H,23,26).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-ethylphenyl)pyrazol-4-yl]acetamide?
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-ethylphenyl)pyrazol-4-yl]acetamide has a molecular weight of 371.84 g/mol, XLogP of 4.09, 6 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-ethylphenyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 58157069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).