5-chloro-2-fluoro-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide

C21H19ClF2N4O — CID 91887888

IUPAC5-chloro-2-fluoro-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide
SMILESO=C(NC1CCCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1cc(Cl)ccc1F
InChIInChI=1S/C21H19ClF2N4O/c22-14-5-8-18(24)17(10-14)21(29)25-16-2-1-9-28(12-16)20-11-19(26-27-20)13-3-6-15(23)7-4-13/h3-8,10-11,16H,1-2,9,12H2,(H,25,29)(H,26,27)
InChIKeyAJJPVBVCHXAXOW-UHFFFAOYSA-N
MW416.86 g/mol
LogP4.41
Rot. Bonds4

About 5-chloro-2-fluoro-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide

5-chloro-2-fluoro-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide (PubChem CID 91887888) has the molecular formula C21H19ClF2N4O and a molecular weight of 416.86 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide
PubChem CID91887888
Molecular FormulaC21H19ClF2N4O
Molecular Weight416.86 g/mol
Exact Mass416.12
IUPAC Name5-chloro-2-fluoro-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide
SMILESO=C(NC1CCCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1cc(Cl)ccc1F
InChIInChI=1S/C21H19ClF2N4O/c22-14-5-8-18(24)17(10-14)21(29)25-16-2-1-9-28(12-16)20-11-19(26-27-20)13-3-6-15(23)7-4-13/h3-8,10-11,16H,1-2,9,12H2,(H,25,29)(H,26,27)
InChIKeyAJJPVBVCHXAXOW-UHFFFAOYSA-N
XLogP4.41
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.86
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-chloro-2-fluoro-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide (CID 91887888) is 5-chloro-2-fluoro-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide is O=C(NC1CCCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide?
The InChIKey is AJJPVBVCHXAXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF2N4O/c22-14-5-8-18(24)17(10-14)21(29)25-16-2-1-9-28(12-16)20-11-19(26-27-20)13-3-6-15(23)7-4-13/h3-8,10-11,16H,1-2,9,12H2,(H,25,29)(H,26,27).
What are the key properties of 5-chloro-2-fluoro-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide?
5-chloro-2-fluoro-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide has a molecular weight of 416.86 g/mol, XLogP of 4.41, 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-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide is sourced from PubChem (CID 91887888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).