(2R)-N-[4-bromo-2-(trifluoromethyl)phenyl]piperidine-2-carboxamide

C13H14BrF3N2O — CID 104913181

IUPAC(2R)-N-[4-bromo-2-(trifluoromethyl)phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1C(F)(F)F)[C@H]1CCCCN1
InChIInChI=1S/C13H14BrF3N2O/c14-8-4-5-10(9(7-8)13(15,16)17)19-12(20)11-3-1-2-6-18-11/h4-5,7,11,18H,1-3,6H2,(H,19,20)/t11-/m1/s1
InChIKeyNZLPDUCXYZZUTA-LLVKDONJSA-N
MW351.17 g/mol
LogP3.55
Rot. Bonds2

About (2R)-N-[4-bromo-2-(trifluoromethyl)phenyl]piperidine-2-carboxamide

(2R)-N-[4-bromo-2-(trifluoromethyl)phenyl]piperidine-2-carboxamide (PubChem CID 104913181) has the molecular formula C13H14BrF3N2O and a molecular weight of 351.17 g/mol. Its IUPAC name is (2R)-N-[4-bromo-2-(trifluoromethyl)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-bromo-2-(trifluoromethyl)phenyl]piperidine-2-carboxamide
PubChem CID104913181
Molecular FormulaC13H14BrF3N2O
Molecular Weight351.17 g/mol
Exact Mass350.02
IUPAC Name(2R)-N-[4-bromo-2-(trifluoromethyl)phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1C(F)(F)F)[C@H]1CCCCN1
InChIInChI=1S/C13H14BrF3N2O/c14-8-4-5-10(9(7-8)13(15,16)17)19-12(20)11-3-1-2-6-18-11/h4-5,7,11,18H,1-3,6H2,(H,19,20)/t11-/m1/s1
InChIKeyNZLPDUCXYZZUTA-LLVKDONJSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-cyanophenyl)azepane-2-carboxamide
CID 82708278
(2R)-N-[5-bromo-2-(dimethylamino)phenyl]piperidine-2-carboxamide
CID 93268970
(2S)-N-[2-fluoro-5-(trifluoromethyl)phenyl]piperidine-2-carboxamide
CID 103808490
(2R)-N-(2-bromo-4-chlorophenyl)piperidine-2-carboxamide
CID 104914354
(2S)-N-(4-bromophenyl)piperidine-2-carboxamide;hydrochloride
CID 119670350
N-(3-bromophenyl)piperidine-2-carboxamide
CID 18073202
N-[3-bromo-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 65490023
N-(2-bromophenyl)piperidine-2-carboxamide
CID 18071832
(2S)-N-(2-bromo-4-fluorophenyl)pyrrolidine-2-carboxamide
CID 28939511
(2R)-N-[2-chloro-6-(trifluoromethyl)phenyl]piperidine-2-carboxamide
CID 28951007
(2R)-N-(2-tert-butylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119399894
(2S)-N-(2-bromo-5-methylphenyl)piperidine-2-carboxamide
CID 104914544

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-bromo-2-(trifluoromethyl)phenyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-N-[4-bromo-2-(trifluoromethyl)phenyl]piperidine-2-carboxamide (CID 104913181) is (2R)-N-[4-bromo-2-(trifluoromethyl)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-bromo-2-(trifluoromethyl)phenyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[4-bromo-2-(trifluoromethyl)phenyl]piperidine-2-carboxamide is O=C(Nc1ccc(Br)cc1C(F)(F)F)[C@H]1CCCCN1.
What is the InChIKey of (2R)-N-[4-bromo-2-(trifluoromethyl)phenyl]piperidine-2-carboxamide?
The InChIKey is NZLPDUCXYZZUTA-LLVKDONJSA-N. The full InChI is InChI=1S/C13H14BrF3N2O/c14-8-4-5-10(9(7-8)13(15,16)17)19-12(20)11-3-1-2-6-18-11/h4-5,7,11,18H,1-3,6H2,(H,19,20)/t11-/m1/s1.
What are the key properties of (2R)-N-[4-bromo-2-(trifluoromethyl)phenyl]piperidine-2-carboxamide?
(2R)-N-[4-bromo-2-(trifluoromethyl)phenyl]piperidine-2-carboxamide has a molecular weight of 351.17 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-bromo-2-(trifluoromethyl)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 104913181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).