2-chloro-6-fluoro-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide

C16H18ClFN4O — CID 91631977

IUPAC2-chloro-6-fluoro-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
SMILESCc1cc(N2CCC(NC(=O)c3c(F)cccc3Cl)CC2)n[nH]1
InChIInChI=1S/C16H18ClFN4O/c1-10-9-14(21-20-10)22-7-5-11(6-8-22)19-16(23)15-12(17)3-2-4-13(15)18/h2-4,9,11H,5-8H2,1H3,(H,19,23)(H,20,21)
InChIKeyPYHVFGVYNHIOQB-UHFFFAOYSA-N
MW336.80 g/mol
LogP2.91
Rot. Bonds3

About 2-chloro-6-fluoro-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide

2-chloro-6-fluoro-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide (PubChem CID 91631977) has the molecular formula C16H18ClFN4O and a molecular weight of 336.80 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
PubChem CID91631977
Molecular FormulaC16H18ClFN4O
Molecular Weight336.80 g/mol
Exact Mass336.12
IUPAC Name2-chloro-6-fluoro-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
SMILESCc1cc(N2CCC(NC(=O)c3c(F)cccc3Cl)CC2)n[nH]1
InChIInChI=1S/C16H18ClFN4O/c1-10-9-14(21-20-10)22-7-5-11(6-8-22)19-16(23)15-12(17)3-2-4-13(15)18/h2-4,9,11H,5-8H2,1H3,(H,19,23)(H,20,21)
InChIKeyPYHVFGVYNHIOQB-UHFFFAOYSA-N
XLogP2.91
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide (CID 91631977) is 2-chloro-6-fluoro-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide is Cc1cc(N2CCC(NC(=O)c3c(F)cccc3Cl)CC2)n[nH]1.
What is the InChIKey of 2-chloro-6-fluoro-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide?
The InChIKey is PYHVFGVYNHIOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN4O/c1-10-9-14(21-20-10)22-7-5-11(6-8-22)19-16(23)15-12(17)3-2-4-13(15)18/h2-4,9,11H,5-8H2,1H3,(H,19,23)(H,20,21).
What are the key properties of 2-chloro-6-fluoro-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide?
2-chloro-6-fluoro-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide has a molecular weight of 336.80 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide is sourced from PubChem (CID 91631977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).