(2S)-N-[2-fluoro-5-(trifluoromethyl)phenyl]piperidine-2-carboxamide

C13H14F4N2O — CID 103808490

IUPAC(2S)-N-[2-fluoro-5-(trifluoromethyl)phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1F)[C@@H]1CCCCN1
InChIInChI=1S/C13H14F4N2O/c14-9-5-4-8(13(15,16)17)7-11(9)19-12(20)10-3-1-2-6-18-10/h4-5,7,10,18H,1-3,6H2,(H,19,20)/t10-/m0/s1
InChIKeyXBSLRMKCFLDPDV-JTQLQIEISA-N
MW290.26 g/mol
LogP2.93
Rot. Bonds2

About (2S)-N-[2-fluoro-5-(trifluoromethyl)phenyl]piperidine-2-carboxamide

(2S)-N-[2-fluoro-5-(trifluoromethyl)phenyl]piperidine-2-carboxamide (PubChem CID 103808490) has the molecular formula C13H14F4N2O and a molecular weight of 290.26 g/mol. Its IUPAC name is (2S)-N-[2-fluoro-5-(trifluoromethyl)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-fluoro-5-(trifluoromethyl)phenyl]piperidine-2-carboxamide
PubChem CID103808490
Molecular FormulaC13H14F4N2O
Molecular Weight290.26 g/mol
Exact Mass290.10
IUPAC Name(2S)-N-[2-fluoro-5-(trifluoromethyl)phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1F)[C@@H]1CCCCN1
InChIInChI=1S/C13H14F4N2O/c14-9-5-4-8(13(15,16)17)7-11(9)19-12(20)10-3-1-2-6-18-10/h4-5,7,10,18H,1-3,6H2,(H,19,20)/t10-/m0/s1
InChIKeyXBSLRMKCFLDPDV-JTQLQIEISA-N
XLogP2.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.26
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 66478130
N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 2224325
N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-piperidin-2-ylacetamide
CID 63047528
N-(2-fluoro-5-methoxyphenyl)piperidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 167828177
methyl 4-fluoro-3-[[(2S)-piperidine-2-carbonyl]amino]benzoate
CID 103920674
N-(2-fluorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119262310
(2S)-N-[3-(trifluoromethyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119671263
N-(2,5-difluoro-4-methylphenyl)piperidine-2-carboxamide
CID 103586007
N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 11701623
(2R)-N-(2-fluoro-5-methoxyphenyl)pyrrolidine-2-carboxamide
CID 113264214
(2R)-N-[4-bromo-2-(trifluoromethyl)phenyl]piperidine-2-carboxamide
CID 104913181
4,5-difluoro-2-[[(2S)-piperidine-2-carbonyl]amino]benzoic acid
CID 104913876

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-fluoro-5-(trifluoromethyl)phenyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N-[2-fluoro-5-(trifluoromethyl)phenyl]piperidine-2-carboxamide (CID 103808490) is (2S)-N-[2-fluoro-5-(trifluoromethyl)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-fluoro-5-(trifluoromethyl)phenyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-fluoro-5-(trifluoromethyl)phenyl]piperidine-2-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1F)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-[2-fluoro-5-(trifluoromethyl)phenyl]piperidine-2-carboxamide?
The InChIKey is XBSLRMKCFLDPDV-JTQLQIEISA-N. The full InChI is InChI=1S/C13H14F4N2O/c14-9-5-4-8(13(15,16)17)7-11(9)19-12(20)10-3-1-2-6-18-10/h4-5,7,10,18H,1-3,6H2,(H,19,20)/t10-/m0/s1.
What are the key properties of (2S)-N-[2-fluoro-5-(trifluoromethyl)phenyl]piperidine-2-carboxamide?
(2S)-N-[2-fluoro-5-(trifluoromethyl)phenyl]piperidine-2-carboxamide has a molecular weight of 290.26 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-fluoro-5-(trifluoromethyl)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 103808490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).