2-chloro-4-fluoro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide

C15H10ClFN4O — CID 30884817

IUPAC2-chloro-4-fluoro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide
SMILESO=C(Nc1cccnc1-n1cccn1)c1ccc(F)cc1Cl
InChIInChI=1S/C15H10ClFN4O/c16-12-9-10(17)4-5-11(12)15(22)20-13-3-1-6-18-14(13)21-8-2-7-19-21/h1-9H,(H,20,22)
InChIKeyHCRAVYFDGDXWNP-UHFFFAOYSA-N
MW316.72 g/mol
LogP3.31
Rot. Bonds3

About 2-chloro-4-fluoro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide

2-chloro-4-fluoro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide (PubChem CID 30884817) has the molecular formula C15H10ClFN4O and a molecular weight of 316.72 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide
PubChem CID30884817
Molecular FormulaC15H10ClFN4O
Molecular Weight316.72 g/mol
Exact Mass316.05
IUPAC Name2-chloro-4-fluoro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide
SMILESO=C(Nc1cccnc1-n1cccn1)c1ccc(F)cc1Cl
InChIInChI=1S/C15H10ClFN4O/c16-12-9-10(17)4-5-11(12)15(22)20-13-3-1-6-18-14(13)21-8-2-7-19-21/h1-9H,(H,20,22)
InChIKeyHCRAVYFDGDXWNP-UHFFFAOYSA-N
XLogP3.31
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.72
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(2-pyrazol-1-yl-3-pyridinyl)pyridine-3-carboxamide
CID 60748520
5-bromo-2-chloro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide
CID 30887095
2-fluoro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide
CID 30884704
5-chloro-N-(2-pyrazol-1-yl-3-pyridinyl)pyrazine-2-carboxamide
CID 103817139
5-bromo-N-(2-pyrazol-1-yl-3-pyridinyl)pyridine-2-carboxamide
CID 62952714
2-chloro-4-fluoro-N-naphthalen-1-ylbenzamide
CID 26087324
2-chloro-5-methylsulfanyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 47084179
6-oxo-N-(2-pyrazol-1-yl-3-pyridinyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 61258857
2-chloro-N-(2,5-difluorophenyl)-4-fluorobenzamide
CID 26361023
(2R)-2-(2-chlorophenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide
CID 39166910
N-(3-benzamido-2-methylphenyl)-2-chloro-4-fluorobenzamide
CID 55900045
2-chloro-N-(2-ethoxyphenyl)-4-fluorobenzamide
CID 2591172

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide (CID 30884817) is 2-chloro-4-fluoro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide is O=C(Nc1cccnc1-n1cccn1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide?
The InChIKey is HCRAVYFDGDXWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN4O/c16-12-9-10(17)4-5-11(12)15(22)20-13-3-1-6-18-14(13)21-8-2-7-19-21/h1-9H,(H,20,22).
What are the key properties of 2-chloro-4-fluoro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide?
2-chloro-4-fluoro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide has a molecular weight of 316.72 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide is sourced from PubChem (CID 30884817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).