2-bromo-5-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide

C18H16BrF4N3O — CID 46466116

IUPAC2-bromo-5-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cc(F)ccc1Br
InChIInChI=1S/C18H16BrF4N3O/c19-15-3-2-12(20)9-14(15)17(27)25-13-5-7-26(8-6-13)16-4-1-11(10-24-16)18(21,22)23/h1-4,9-10,13H,5-8H2,(H,25,27)
InChIKeyFYDGNXWAXRJHRK-UHFFFAOYSA-N
MW446.24 g/mol
LogP4.40
Rot. Bonds3

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

2-bromo-5-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide (PubChem CID 46466116) has the molecular formula C18H16BrF4N3O and a molecular weight of 446.24 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
PubChem CID46466116
Molecular FormulaC18H16BrF4N3O
Molecular Weight446.24 g/mol
Exact Mass445.04
IUPAC Name2-bromo-5-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cc(F)ccc1Br
InChIInChI=1S/C18H16BrF4N3O/c19-15-3-2-12(20)9-14(15)17(27)25-13-5-7-26(8-6-13)16-4-1-11(10-24-16)18(21,22)23/h1-4,9-10,13H,5-8H2,(H,25,27)
InChIKeyFYDGNXWAXRJHRK-UHFFFAOYSA-N
XLogP4.40
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.24
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4,5-difluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 55708556
4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 46475049
5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 55708564
3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 120549268
2-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142573
4,5-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thiophene-2-carboxamide
CID 46485755
2-chloro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142758
5-bromo-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 124892505
2,3-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]quinoxaline-6-carboxamide
CID 55708584
5-nitro-2-pyrrolidin-1-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 55962716
6-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-2-carboxamide
CID 46465991
tert-butyl N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate
CID 86625881

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide?
The IUPAC name of 2-bromo-5-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide (CID 46466116) is 2-bromo-5-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide is O=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-5-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide?
The InChIKey is FYDGNXWAXRJHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrF4N3O/c19-15-3-2-12(20)9-14(15)17(27)25-13-5-7-26(8-6-13)16-4-1-11(10-24-16)18(21,22)23/h1-4,9-10,13H,5-8H2,(H,25,27).
What are the key properties of 2-bromo-5-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide?
2-bromo-5-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide has a molecular weight of 446.24 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 46466116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).