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

C21H20ClFN4O — CID 91887776

IUPAC2-chloro-4-fluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
SMILESO=C(NC1CCCN(c2cc(-c3ccccc3)[nH]n2)C1)c1ccc(F)cc1Cl
InChIInChI=1S/C21H20ClFN4O/c22-18-11-15(23)8-9-17(18)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)
InChIKeyAQVVHDMITTYDOC-UHFFFAOYSA-N
MW398.87 g/mol
LogP4.27
Rot. Bonds4

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

2-chloro-4-fluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide (PubChem CID 91887776) has the molecular formula C21H20ClFN4O and a molecular weight of 398.87 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
PubChem CID91887776
Molecular FormulaC21H20ClFN4O
Molecular Weight398.87 g/mol
Exact Mass398.13
IUPAC Name2-chloro-4-fluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
SMILESO=C(NC1CCCN(c2cc(-c3ccccc3)[nH]n2)C1)c1ccc(F)cc1Cl
InChIInChI=1S/C21H20ClFN4O/c22-18-11-15(23)8-9-17(18)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)
InChIKeyAQVVHDMITTYDOC-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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Related Compounds

N1-(3-phenyl-1H-pyrazol-5-yl)-4-chlorobenzamide
CID 339736
4-bromo-5-[(2-chlorobenzoyl)amino]-N-[4-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]phenyl]-1H-pyrazole-3-carboxamide
CID 11214480
4-bromo-5-[(2-chlorobenzoyl)amino]-N-[2-(1-methyl-4-piperidinyl)ethyl]-1H-pyrazole-3-carboxamide
CID 9804704
4-bromo-5-[(2-chlorobenzoyl)amino]-N-[(1R)-1-methyl-2-oxo-2-(1-piperidinyl)ethyl]-1H-pyrazole-3-carboxamide
CID 11317669
4-chloro-5-[(2-chlorobenzoyl)amino]-N-phenyl-1H-pyrazole-3-carboxamide
CID 11326315
6-[4-(2-CHLORO-5-FLUOROBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11453250
rac-4-bromo-5-[(2-chlorobenzoyl)amino]-N-(2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-1H-pyrazole-3-carboxamide
CID 11478717
2-(4-Fluorobenzyl)-4-(5-methyl-1H-pyrazol-3-ylamino)-2Hphthalazin-1-one
CID 11508531
4-bromo-5-[(2-chlorobenzoyl)amino]-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide
CID 23630510
4-bromo-3-[(2-chlorobenzoyl)amino]-N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]-1H-pyrazole-5-carboxamide
CID 23630715
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-4-bromo-3-[(2-chlorobenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 23630809
5-[(2-chlorobenzoyl)amino]-4-fluoro-N-[2-[1-(4-pyridinyl)-4-piperidinyl]ethyl]-1Hpyrazole-3-carboxamide
CID 23630811

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide (CID 91887776) is 2-chloro-4-fluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide is O=C(NC1CCCN(c2cc(-c3ccccc3)[nH]n2)C1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide?
The InChIKey is AQVVHDMITTYDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN4O/c22-18-11-15(23)8-9-17(18)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 2-chloro-4-fluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide?
2-chloro-4-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 2-chloro-4-fluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide is sourced from PubChem (CID 91887776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).