2-chloro-6-fluoro-N-[2-(4-pyridin-3-ylpyrazol-1-yl)ethyl]benzamide

C17H14ClFN4O — CID 126852817

IUPAC2-chloro-6-fluoro-N-[2-(4-pyridin-3-ylpyrazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1cc(-c2cccnc2)cn1)c1c(F)cccc1Cl
InChIInChI=1S/C17H14ClFN4O/c18-14-4-1-5-15(19)16(14)17(24)21-7-8-23-11-13(10-22-23)12-3-2-6-20-9-12/h1-6,9-11H,7-8H2,(H,21,24)
InChIKeyZNJZVLXPJMANOE-UHFFFAOYSA-N
MW344.78 g/mol
LogP3.17
Rot. Bonds5

About 2-chloro-6-fluoro-N-[2-(4-pyridin-3-ylpyrazol-1-yl)ethyl]benzamide

2-chloro-6-fluoro-N-[2-(4-pyridin-3-ylpyrazol-1-yl)ethyl]benzamide (PubChem CID 126852817) has the molecular formula C17H14ClFN4O and a molecular weight of 344.78 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-(4-pyridin-3-ylpyrazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-(4-pyridin-3-ylpyrazol-1-yl)ethyl]benzamide
PubChem CID126852817
Molecular FormulaC17H14ClFN4O
Molecular Weight344.78 g/mol
Exact Mass344.08
IUPAC Name2-chloro-6-fluoro-N-[2-(4-pyridin-3-ylpyrazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1cc(-c2cccnc2)cn1)c1c(F)cccc1Cl
InChIInChI=1S/C17H14ClFN4O/c18-14-4-1-5-15(19)16(14)17(24)21-7-8-23-11-13(10-22-23)12-3-2-6-20-9-12/h1-6,9-11H,7-8H2,(H,21,24)
InChIKeyZNJZVLXPJMANOE-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

2-fluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide
CID 121020133
2-chloro-6-fluoro-N-(3-pyridin-3-ylpropyl)benzamide
CID 110400269
2-chloro-6-fluoro-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110317678
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]pyrazine-2-carboxamide
CID 108542988
N-[2-(4-aminopyrazol-1-yl)ethyl]-2,6-difluorobenzamide
CID 115319778
2-chloro-6-fluoro-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide
CID 112993068
2-chloro-6-fluoro-N-(5-imidazol-1-ylpentyl)benzamide
CID 110445786
2-fluoro-N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]benzamide
CID 122244751
2-chloro-6-fluoro-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide
CID 95744763
2-chloro-6-fluoro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
CID 90588310
(E)-3-(furan-2-yl)-N-[2-(4-pyridin-3-ylpyrazol-1-yl)ethyl]prop-2-enamide
CID 126852832
1-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107496870

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-(4-pyridin-3-ylpyrazol-1-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-(4-pyridin-3-ylpyrazol-1-yl)ethyl]benzamide (CID 126852817) is 2-chloro-6-fluoro-N-[2-(4-pyridin-3-ylpyrazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-(4-pyridin-3-ylpyrazol-1-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-(4-pyridin-3-ylpyrazol-1-yl)ethyl]benzamide is O=C(NCCn1cc(-c2cccnc2)cn1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-(4-pyridin-3-ylpyrazol-1-yl)ethyl]benzamide?
The InChIKey is ZNJZVLXPJMANOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4O/c18-14-4-1-5-15(19)16(14)17(24)21-7-8-23-11-13(10-22-23)12-3-2-6-20-9-12/h1-6,9-11H,7-8H2,(H,21,24).
What are the key properties of 2-chloro-6-fluoro-N-[2-(4-pyridin-3-ylpyrazol-1-yl)ethyl]benzamide?
2-chloro-6-fluoro-N-[2-(4-pyridin-3-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-(4-pyridin-3-ylpyrazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 126852817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).