4-(3-chloro-2-pyridinyl)-2-fluoro-N-(1H-pyrazol-5-yl)benzamide

C15H10ClFN4O — CID 59673295

IUPAC4-(3-chloro-2-pyridinyl)-2-fluoro-N-(1H-pyrazol-5-yl)benzamide
SMILESO=C(Nc1ccn[nH]1)c1ccc(-c2ncccc2Cl)cc1F
InChIInChI=1S/C15H10ClFN4O/c16-11-2-1-6-18-14(11)9-3-4-10(12(17)8-9)15(22)20-13-5-7-19-21-13/h1-8H,(H2,19,20,21,22)
InChIKeyGBVQPBBKJQUZGJ-UHFFFAOYSA-N
MW316.72 g/mol
LogP3.52
Rot. Bonds3

About 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(1H-pyrazol-5-yl)benzamide

4-(3-chloro-2-pyridinyl)-2-fluoro-N-(1H-pyrazol-5-yl)benzamide (PubChem CID 59673295) has the molecular formula C15H10ClFN4O and a molecular weight of 316.72 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-2-fluoro-N-(1H-pyrazol-5-yl)benzamide
PubChem CID59673295
Molecular FormulaC15H10ClFN4O
Molecular Weight316.72 g/mol
Exact Mass316.05
IUPAC Name4-(3-chloro-2-pyridinyl)-2-fluoro-N-(1H-pyrazol-5-yl)benzamide
SMILESO=C(Nc1ccn[nH]1)c1ccc(-c2ncccc2Cl)cc1F
InChIInChI=1S/C15H10ClFN4O/c16-11-2-1-6-18-14(11)9-3-4-10(12(17)8-9)15(22)20-13-5-7-19-21-13/h1-8H,(H2,19,20,21,22)
InChIKeyGBVQPBBKJQUZGJ-UHFFFAOYSA-N
XLogP3.52
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.72
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(1H-pyrazol-5-yl)benzamide (CID 59673295) is 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(1H-pyrazol-5-yl)benzamide is O=C(Nc1ccn[nH]1)c1ccc(-c2ncccc2Cl)cc1F.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(1H-pyrazol-5-yl)benzamide?
The InChIKey is GBVQPBBKJQUZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN4O/c16-11-2-1-6-18-14(11)9-3-4-10(12(17)8-9)15(22)20-13-5-7-19-21-13/h1-8H,(H2,19,20,21,22).
What are the key properties of 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(1H-pyrazol-5-yl)benzamide?
4-(3-chloro-2-pyridinyl)-2-fluoro-N-(1H-pyrazol-5-yl)benzamide has a molecular weight of 316.72 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 59673295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).