N-[(2-chloro-4-fluorophenyl)methyl]-2-(2-methylpyrazol-3-yl)acetamide

C13H13ClFN3O — CID 25061574

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-2-(2-methylpyrazol-3-yl)acetamide
SMILESCn1nccc1CC(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C13H13ClFN3O/c1-18-11(4-5-17-18)7-13(19)16-8-9-2-3-10(15)6-12(9)14/h2-6H,7-8H2,1H3,(H,16,19)
InChIKeyOYVGLTSICZBWHV-UHFFFAOYSA-N
MW281.72 g/mol
LogP2.07
Rot. Bonds4

About N-[(2-chloro-4-fluorophenyl)methyl]-2-(2-methylpyrazol-3-yl)acetamide

N-[(2-chloro-4-fluorophenyl)methyl]-2-(2-methylpyrazol-3-yl)acetamide (PubChem CID 25061574) has the molecular formula C13H13ClFN3O and a molecular weight of 281.72 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-2-(2-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-2-(2-methylpyrazol-3-yl)acetamide
PubChem CID25061574
Molecular FormulaC13H13ClFN3O
Molecular Weight281.72 g/mol
Exact Mass281.07
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-2-(2-methylpyrazol-3-yl)acetamide
SMILESCn1nccc1CC(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C13H13ClFN3O/c1-18-11(4-5-17-18)7-13(19)16-8-9-2-3-10(15)6-12(9)14/h2-6H,7-8H2,1H3,(H,16,19)
InChIKeyOYVGLTSICZBWHV-UHFFFAOYSA-N
XLogP2.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.72
LogP ≤ 52.07
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-(2-methylpyrazol-3-yl)acetamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-(2-methylpyrazol-3-yl)acetamide (CID 25061574) is N-[(2-chloro-4-fluorophenyl)methyl]-2-(2-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-2-(2-methylpyrazol-3-yl)acetamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-2-(2-methylpyrazol-3-yl)acetamide is Cn1nccc1CC(=O)NCc1ccc(F)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-2-(2-methylpyrazol-3-yl)acetamide?
The InChIKey is OYVGLTSICZBWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O/c1-18-11(4-5-17-18)7-13(19)16-8-9-2-3-10(15)6-12(9)14/h2-6H,7-8H2,1H3,(H,16,19).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-2-(2-methylpyrazol-3-yl)acetamide?
N-[(2-chloro-4-fluorophenyl)methyl]-2-(2-methylpyrazol-3-yl)acetamide has a molecular weight of 281.72 g/mol, XLogP of 2.07, 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-(2-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 25061574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).