2-bromo-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)benzamide

C13H14BrF3N2O — CID 104645323

IUPAC2-bromo-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)benzamide
SMILESO=C(N[C@@H]1CCCNC1)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C13H14BrF3N2O/c14-11-4-3-8(13(15,16)17)6-10(11)12(20)19-9-2-1-5-18-7-9/h3-4,6,9,18H,1-2,5,7H2,(H,19,20)/t9-/m1/s1
InChIKeyQSBGZZIPQHVVLX-SECBINFHSA-N
MW351.17 g/mol
LogP2.95
Rot. Bonds2

About 2-bromo-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)benzamide

2-bromo-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)benzamide (PubChem CID 104645323) has the molecular formula C13H14BrF3N2O and a molecular weight of 351.17 g/mol. Its IUPAC name is 2-bromo-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)benzamide
PubChem CID104645323
Molecular FormulaC13H14BrF3N2O
Molecular Weight351.17 g/mol
Exact Mass350.02
IUPAC Name2-bromo-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)benzamide
SMILESO=C(N[C@@H]1CCCNC1)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C13H14BrF3N2O/c14-11-4-3-8(13(15,16)17)6-10(11)12(20)19-9-2-1-5-18-7-9/h3-4,6,9,18H,1-2,5,7H2,(H,19,20)/t9-/m1/s1
InChIKeyQSBGZZIPQHVVLX-SECBINFHSA-N
XLogP2.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.17
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-nitro-N-piperidin-3-yl-4-(trifluoromethyl)benzamide;hydrochloride
CID 119428141
N-piperidin-3-yl-2-prop-2-enoxy-5-(trifluoromethyl)benzamide;hydrochloride
CID 119426047
2-bromo-5-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79687966
N-(azepan-3-yl)-3-bromo-2-fluorobenzamide
CID 107956133
2-oxo-N-piperidin-3-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride
CID 119425759
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-piperidin-3-ylurea
CID 165430468
3-bromo-4-fluoro-N-[(3R)-piperidin-3-yl]benzamide
CID 99849634
4-bromo-2-chloro-N-piperidin-3-ylbenzamide
CID 63321001
1-[(3R)-piperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 104645603
2,3-difluoro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428838
N-[2-bromo-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 114042706
2-amino-N-piperidin-3-ylbenzamide
CID 70159342

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-bromo-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)benzamide (CID 104645323) is 2-bromo-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-bromo-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-bromo-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)benzamide is O=C(N[C@@H]1CCCNC1)c1cc(C(F)(F)F)ccc1Br.
What is the InChIKey of 2-bromo-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)benzamide?
The InChIKey is QSBGZZIPQHVVLX-SECBINFHSA-N. The full InChI is InChI=1S/C13H14BrF3N2O/c14-11-4-3-8(13(15,16)17)6-10(11)12(20)19-9-2-1-5-18-7-9/h3-4,6,9,18H,1-2,5,7H2,(H,19,20)/t9-/m1/s1.
What are the key properties of 2-bromo-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)benzamide?
2-bromo-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)benzamide has a molecular weight of 351.17 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 104645323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).