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

C13H12ClF2N3O — CID 25061837

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-2-(4-fluoro-1-methylpyrazol-5-yl)acetamide
SMILESCn1ncc(F)c1CC(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C13H12ClF2N3O/c1-19-12(11(16)7-18-19)5-13(20)17-6-8-2-3-9(15)4-10(8)14/h2-4,7H,5-6H2,1H3,(H,17,20)
InChIKeyOPXDSRVMGBWKJK-UHFFFAOYSA-N
MW299.71 g/mol
LogP2.21
Rot. Bonds4

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

N-[(2-chloro-4-fluorophenyl)methyl]-2-(4-fluoro-1-methylpyrazol-5-yl)acetamide (PubChem CID 25061837) has the molecular formula C13H12ClF2N3O and a molecular weight of 299.71 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-2-(4-fluoro-1-methylpyrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-2-(4-fluoro-1-methylpyrazol-5-yl)acetamide
PubChem CID25061837
Molecular FormulaC13H12ClF2N3O
Molecular Weight299.71 g/mol
Exact Mass299.06
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-2-(4-fluoro-1-methylpyrazol-5-yl)acetamide
SMILESCn1ncc(F)c1CC(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C13H12ClF2N3O/c1-19-12(11(16)7-18-19)5-13(20)17-6-8-2-3-9(15)4-10(8)14/h2-4,7H,5-6H2,1H3,(H,17,20)
InChIKeyOPXDSRVMGBWKJK-UHFFFAOYSA-N
XLogP2.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.71
LogP ≤ 52.21
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-(4-fluoro-1-methylpyrazol-5-yl)acetamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-(4-fluoro-1-methylpyrazol-5-yl)acetamide (CID 25061837) is N-[(2-chloro-4-fluorophenyl)methyl]-2-(4-fluoro-1-methylpyrazol-5-yl)acetamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-2-(4-fluoro-1-methylpyrazol-5-yl)acetamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-2-(4-fluoro-1-methylpyrazol-5-yl)acetamide is Cn1ncc(F)c1CC(=O)NCc1ccc(F)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-2-(4-fluoro-1-methylpyrazol-5-yl)acetamide?
The InChIKey is OPXDSRVMGBWKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF2N3O/c1-19-12(11(16)7-18-19)5-13(20)17-6-8-2-3-9(15)4-10(8)14/h2-4,7H,5-6H2,1H3,(H,17,20).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-2-(4-fluoro-1-methylpyrazol-5-yl)acetamide?
N-[(2-chloro-4-fluorophenyl)methyl]-2-(4-fluoro-1-methylpyrazol-5-yl)acetamide has a molecular weight of 299.71 g/mol, XLogP of 2.21, 4 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-(4-fluoro-1-methylpyrazol-5-yl)acetamide is sourced from PubChem (CID 25061837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).