5-chloro-2-fluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide

C21H20ClFN4O — CID 91887777

IUPAC5-chloro-2-fluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
SMILESO=C(NC1CCCN(c2cc(-c3ccccc3)[nH]n2)C1)c1cc(Cl)ccc1F
InChIInChI=1S/C21H20ClFN4O/c22-15-8-9-18(23)17(11-15)21(28)24-16-7-4-10-27(13-16)20-12-19(25-26-20)14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,16H,4,7,10,13H2,(H,24,28)(H,25,26)
InChIKeyUVLCNMZFCMGNOP-UHFFFAOYSA-N
MW398.87 g/mol
LogP4.27
Rot. Bonds4

About 5-chloro-2-fluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide

5-chloro-2-fluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide (PubChem CID 91887777) has the molecular formula C21H20ClFN4O and a molecular weight of 398.87 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
PubChem CID91887777
Molecular FormulaC21H20ClFN4O
Molecular Weight398.87 g/mol
Exact Mass398.13
IUPAC Name5-chloro-2-fluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
SMILESO=C(NC1CCCN(c2cc(-c3ccccc3)[nH]n2)C1)c1cc(Cl)ccc1F
InChIInChI=1S/C21H20ClFN4O/c22-15-8-9-18(23)17(11-15)21(28)24-16-7-4-10-27(13-16)20-12-19(25-26-20)14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,16H,4,7,10,13H2,(H,24,28)(H,25,26)
InChIKeyUVLCNMZFCMGNOP-UHFFFAOYSA-N
XLogP4.27
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.87
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide (CID 91887777) is 5-chloro-2-fluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide is O=C(NC1CCCN(c2cc(-c3ccccc3)[nH]n2)C1)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide?
The InChIKey is UVLCNMZFCMGNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN4O/c22-15-8-9-18(23)17(11-15)21(28)24-16-7-4-10-27(13-16)20-12-19(25-26-20)14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,16H,4,7,10,13H2,(H,24,28)(H,25,26).
What are the key properties of 5-chloro-2-fluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide?
5-chloro-2-fluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide has a molecular weight of 398.87 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide is sourced from PubChem (CID 91887777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).