N-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)piperidine-2-carboxamide

C14H16F4N2O — CID 114908610

IUPACN-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCc1ccc(F)c(NC(=O)C2CCC(C(F)(F)F)CN2)c1
InChIInChI=1S/C14H16F4N2O/c1-8-2-4-10(15)12(6-8)20-13(21)11-5-3-9(7-19-11)14(16,17)18/h2,4,6,9,11,19H,3,5,7H2,1H3,(H,20,21)
InChIKeyNOSLMKKKVHORDN-UHFFFAOYSA-N
MW304.29 g/mol
LogP3.00
Rot. Bonds2

About N-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)piperidine-2-carboxamide

N-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)piperidine-2-carboxamide (PubChem CID 114908610) has the molecular formula C14H16F4N2O and a molecular weight of 304.29 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)piperidine-2-carboxamide
PubChem CID114908610
Molecular FormulaC14H16F4N2O
Molecular Weight304.29 g/mol
Exact Mass304.12
IUPAC NameN-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCc1ccc(F)c(NC(=O)C2CCC(C(F)(F)F)CN2)c1
InChIInChI=1S/C14H16F4N2O/c1-8-2-4-10(15)12(6-8)20-13(21)11-5-3-9(7-19-11)14(16,17)18/h2,4,6,9,11,19H,3,5,7H2,1H3,(H,20,21)
InChIKeyNOSLMKKKVHORDN-UHFFFAOYSA-N
XLogP3.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908570
N-(2-fluoro-5-methylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110013794
N-(2-fluoro-5-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119264146
N-(2-fluoro-5-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119264139
N-methyl-N-(3-methylphenyl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908798
N-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908554
(2S)-N-[2-fluoro-5-(trifluoromethyl)phenyl]piperidine-2-carboxamide
CID 103808490
2,2-dimethyl-1-[5-(trifluoromethyl)piperidin-2-yl]propan-1-one
CID 176833678
N-(2,5-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43120806
(1S,2R,3R,4S)-3-[(2-fluoro-5-methylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 98210793
5-(2-chlorophenyl)-N-(2-fluoro-5-methylphenyl)pyrazolidine-3-carboxamide
CID 75254818
(2S)-N-(2-chloro-5-methylphenyl)pyrrolidine-2-carboxamide
CID 103794561

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The IUPAC name of N-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)piperidine-2-carboxamide (CID 114908610) is N-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)piperidine-2-carboxamide is Cc1ccc(F)c(NC(=O)C2CCC(C(F)(F)F)CN2)c1.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The InChIKey is NOSLMKKKVHORDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4N2O/c1-8-2-4-10(15)12(6-8)20-13(21)11-5-3-9(7-19-11)14(16,17)18/h2,4,6,9,11,19H,3,5,7H2,1H3,(H,20,21).
What are the key properties of N-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
N-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)piperidine-2-carboxamide has a molecular weight of 304.29 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)piperidine-2-carboxamide is sourced from PubChem (CID 114908610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).