2-chloro-4-fluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]benzamide

C13H13ClFN3O2 — CID 71989831

IUPAC2-chloro-4-fluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]benzamide
SMILESCn1cc(C(O)CNC(=O)c2ccc(F)cc2Cl)cn1
InChIInChI=1S/C13H13ClFN3O2/c1-18-7-8(5-17-18)12(19)6-16-13(20)10-3-2-9(15)4-11(10)14/h2-5,7,12,19H,6H2,1H3,(H,16,20)
InChIKeyFZUOHOVYWZFQDB-UHFFFAOYSA-N
MW297.72 g/mol
LogP1.68
Rot. Bonds4

About 2-chloro-4-fluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]benzamide

2-chloro-4-fluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]benzamide (PubChem CID 71989831) has the molecular formula C13H13ClFN3O2 and a molecular weight of 297.72 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]benzamide
PubChem CID71989831
Molecular FormulaC13H13ClFN3O2
Molecular Weight297.72 g/mol
Exact Mass297.07
IUPAC Name2-chloro-4-fluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]benzamide
SMILESCn1cc(C(O)CNC(=O)c2ccc(F)cc2Cl)cn1
InChIInChI=1S/C13H13ClFN3O2/c1-18-7-8(5-17-18)12(19)6-16-13(20)10-3-2-9(15)4-11(10)14/h2-5,7,12,19H,6H2,1H3,(H,16,20)
InChIKeyFZUOHOVYWZFQDB-UHFFFAOYSA-N
XLogP1.68
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.72
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]benzamide (CID 71989831) is 2-chloro-4-fluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]benzamide is Cn1cc(C(O)CNC(=O)c2ccc(F)cc2Cl)cn1.
What is the InChIKey of 2-chloro-4-fluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]benzamide?
The InChIKey is FZUOHOVYWZFQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O2/c1-18-7-8(5-17-18)12(19)6-16-13(20)10-3-2-9(15)4-11(10)14/h2-5,7,12,19H,6H2,1H3,(H,16,20).
What are the key properties of 2-chloro-4-fluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]benzamide?
2-chloro-4-fluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]benzamide has a molecular weight of 297.72 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 71989831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).