N-[1-(5-bromo-2-fluorobenzoyl)piperidin-3-yl]-4-(trifluoromethyl)benzamide

C20H17BrF4N2O2 — CID 166358062

IUPACN-[1-(5-bromo-2-fluorobenzoyl)piperidin-3-yl]-4-(trifluoromethyl)benzamide
SMILESO=C(NC1CCCN(C(=O)c2cc(Br)ccc2F)C1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H17BrF4N2O2/c21-14-7-8-17(22)16(10-14)19(29)27-9-1-2-15(11-27)26-18(28)12-3-5-13(6-4-12)20(23,24)25/h3-8,10,15H,1-2,9,11H2,(H,26,28)
InChIKeyGLIIGHHSKCDPMB-UHFFFAOYSA-N
MW473.26 g/mol
LogP4.64
Rot. Bonds3

About N-[1-(5-bromo-2-fluorobenzoyl)piperidin-3-yl]-4-(trifluoromethyl)benzamide

N-[1-(5-bromo-2-fluorobenzoyl)piperidin-3-yl]-4-(trifluoromethyl)benzamide (PubChem CID 166358062) has the molecular formula C20H17BrF4N2O2 and a molecular weight of 473.26 g/mol. Its IUPAC name is N-[1-(5-bromo-2-fluorobenzoyl)piperidin-3-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(5-bromo-2-fluorobenzoyl)piperidin-3-yl]-4-(trifluoromethyl)benzamide
PubChem CID166358062
Molecular FormulaC20H17BrF4N2O2
Molecular Weight473.26 g/mol
Exact Mass472.04
IUPAC NameN-[1-(5-bromo-2-fluorobenzoyl)piperidin-3-yl]-4-(trifluoromethyl)benzamide
SMILESO=C(NC1CCCN(C(=O)c2cc(Br)ccc2F)C1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H17BrF4N2O2/c21-14-7-8-17(22)16(10-14)19(29)27-9-1-2-15(11-27)26-18(28)12-3-5-13(6-4-12)20(23,24)25/h3-8,10,15H,1-2,9,11H2,(H,26,28)
InChIKeyGLIIGHHSKCDPMB-UHFFFAOYSA-N
XLogP4.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.26
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromopiperidin-1-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanone
CID 80660661
4-fluoro-N-[1-(4-fluorobenzoyl)piperidin-3-yl]benzamide
CID 11450767
1-(5-bromo-2-fluorobenzoyl)piperidine-3-carboxylic acid
CID 24710129
[3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-fluorophenyl)methanone;hydrochloride
CID 119464932
azocan-1-yl-(5-bromo-2-fluorophenyl)methanone
CID 28801538
N-[(3S)-1-acetylpyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
CID 124508544
5-bromo-2-fluoro-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47909698
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[2-fluoro-5-(trifluoromethyl)phenyl]methanone
CID 100639344
N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
CID 126780268
(5-bromo-2-fluorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63184756
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(5-bromo-2-fluorophenyl)methanone
CID 9295328
4-chloro-N-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 68593380

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-2-fluorobenzoyl)piperidin-3-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(5-bromo-2-fluorobenzoyl)piperidin-3-yl]-4-(trifluoromethyl)benzamide (CID 166358062) is N-[1-(5-bromo-2-fluorobenzoyl)piperidin-3-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(5-bromo-2-fluorobenzoyl)piperidin-3-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(5-bromo-2-fluorobenzoyl)piperidin-3-yl]-4-(trifluoromethyl)benzamide is O=C(NC1CCCN(C(=O)c2cc(Br)ccc2F)C1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[1-(5-bromo-2-fluorobenzoyl)piperidin-3-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is GLIIGHHSKCDPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrF4N2O2/c21-14-7-8-17(22)16(10-14)19(29)27-9-1-2-15(11-27)26-18(28)12-3-5-13(6-4-12)20(23,24)25/h3-8,10,15H,1-2,9,11H2,(H,26,28).
What are the key properties of N-[1-(5-bromo-2-fluorobenzoyl)piperidin-3-yl]-4-(trifluoromethyl)benzamide?
N-[1-(5-bromo-2-fluorobenzoyl)piperidin-3-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 473.26 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-2-fluorobenzoyl)piperidin-3-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 166358062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).