2-chloro-6-fluoro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide

C17H14ClFN4O — CID 90588310

IUPAC2-chloro-6-fluoro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1ccc(-c2ccccn2)n1)c1c(F)cccc1Cl
InChIInChI=1S/C17H14ClFN4O/c18-12-4-3-5-13(19)16(12)17(24)21-9-11-23-10-7-15(22-23)14-6-1-2-8-20-14/h1-8,10H,9,11H2,(H,21,24)
InChIKeySAWJGGQNQZRYDP-UHFFFAOYSA-N
MW344.78 g/mol
LogP3.17
Rot. Bonds5

About 2-chloro-6-fluoro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide

2-chloro-6-fluoro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide (PubChem CID 90588310) has the molecular formula C17H14ClFN4O and a molecular weight of 344.78 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
PubChem CID90588310
Molecular FormulaC17H14ClFN4O
Molecular Weight344.78 g/mol
Exact Mass344.08
IUPAC Name2-chloro-6-fluoro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1ccc(-c2ccccn2)n1)c1c(F)cccc1Cl
InChIInChI=1S/C17H14ClFN4O/c18-12-4-3-5-13(19)16(12)17(24)21-9-11-23-10-7-15(22-23)14-6-1-2-8-20-14/h1-8,10H,9,11H2,(H,21,24)
InChIKeySAWJGGQNQZRYDP-UHFFFAOYSA-N
XLogP3.17
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.78
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
CID 90588267
4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
CID 90588265
4-phenyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
CID 90588347
4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide
CID 90588269
5-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]-1,2-oxazole-4-carboxamide
CID 71807997
4-phenoxy-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
CID 90588364
3,3-dimethyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]butanamide
CID 90588258
2-oxo-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]chromene-3-carboxamide
CID 71807939
1-(2-fluorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]methanesulfonamide
CID 90588515
2-chloro-6-fluoro-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318570
2-chloro-6-fluoro-N-(5-imidazol-1-ylpentyl)benzamide
CID 110445786
2-(3-methylphenoxy)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide
CID 90588299

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide (CID 90588310) is 2-chloro-6-fluoro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide is O=C(NCCn1ccc(-c2ccccn2)n1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide?
The InChIKey is SAWJGGQNQZRYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4O/c18-12-4-3-5-13(19)16(12)17(24)21-9-11-23-10-7-15(22-23)14-6-1-2-8-20-14/h1-8,10H,9,11H2,(H,21,24).
What are the key properties of 2-chloro-6-fluoro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide?
2-chloro-6-fluoro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide has a molecular weight of 344.78 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 90588310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).