N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-1-methylpyrazol-5-yl)acetamide

C14H12ClF4N3O — CID 25061571

IUPACN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-1-methylpyrazol-5-yl)acetamide
SMILESCn1ncc(F)c1CC(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C14H12ClF4N3O/c1-22-11(10(16)7-21-22)5-12(23)20-6-8-3-2-4-9(13(8)15)14(17,18)19/h2-4,7H,5-6H2,1H3,(H,20,23)
InChIKeyGFQPHFHJGJYUQH-UHFFFAOYSA-N
MW349.72 g/mol
LogP3.09
Rot. Bonds4

About N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-1-methylpyrazol-5-yl)acetamide

N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-1-methylpyrazol-5-yl)acetamide (PubChem CID 25061571) has the molecular formula C14H12ClF4N3O and a molecular weight of 349.72 g/mol. Its IUPAC name is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-1-methylpyrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-1-methylpyrazol-5-yl)acetamide
PubChem CID25061571
Molecular FormulaC14H12ClF4N3O
Molecular Weight349.72 g/mol
Exact Mass349.06
IUPAC NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-1-methylpyrazol-5-yl)acetamide
SMILESCn1ncc(F)c1CC(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C14H12ClF4N3O/c1-22-11(10(16)7-21-22)5-12(23)20-6-8-3-2-4-9(13(8)15)14(17,18)19/h2-4,7H,5-6H2,1H3,(H,20,23)
InChIKeyGFQPHFHJGJYUQH-UHFFFAOYSA-N
XLogP3.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.72
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 23654834
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(2,4-dimethylpyrazol-3-yl)acetamide
CID 25011821
N-[(2,4-dichlorophenyl)methyl]-2-(1,4-dimethylpyrazol-5-yl)acetamide
CID 25061573
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 25106658
N-[(2-chloro-4-fluorophenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 25106660
2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-[(2-chloro-4-fluorophenyl)methyl]acetamide
CID 25106741
N-[(2-chloro-4-fluorophenyl)methyl]-2-(3-methyl-1-phenylpyrazol-4-yl)acetamide
CID 46887145
N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-methyl-1-phenylpyrazol-4-yl)acetamide
CID 46887191
N-[(2-chloro-4-fluorophenyl)methyl]-3-(4-methyl-1H-pyrazol-5-yl)propanamide
CID 49863083
N-[(2-chloro-4-fluorophenyl)methyl]-3-(1,4-dimethylpyrazol-5-yl)propanamide
CID 49863107
N-[(2-chloro-4-fluorophenyl)methyl]-3-(2,5-dimethylpyrazol-3-yl)propanamide
CID 49863108
N-[(2-chloro-3,4-difluorophenyl)methyl]-2-[4-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]acetamide
CID 25061322

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-1-methylpyrazol-5-yl)acetamide?
The IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-1-methylpyrazol-5-yl)acetamide (CID 25061571) is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-1-methylpyrazol-5-yl)acetamide.
What is the SMILES notation for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-1-methylpyrazol-5-yl)acetamide?
The canonical SMILES for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-1-methylpyrazol-5-yl)acetamide is Cn1ncc(F)c1CC(=O)NCc1cccc(C(F)(F)F)c1Cl.
What is the InChIKey of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-1-methylpyrazol-5-yl)acetamide?
The InChIKey is GFQPHFHJGJYUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF4N3O/c1-22-11(10(16)7-21-22)5-12(23)20-6-8-3-2-4-9(13(8)15)14(17,18)19/h2-4,7H,5-6H2,1H3,(H,20,23).
What are the key properties of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-1-methylpyrazol-5-yl)acetamide?
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-1-methylpyrazol-5-yl)acetamide has a molecular weight of 349.72 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-1-methylpyrazol-5-yl)acetamide is sourced from PubChem (CID 25061571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).