N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide

C11H11F3N2O — CID 55119315

IUPACN-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cc(F)c(F)c(F)c1)C1CCCN1
InChIInChI=1S/C11H11F3N2O/c12-7-4-6(5-8(13)10(7)14)16-11(17)9-2-1-3-15-9/h4-5,9,15H,1-3H2,(H,16,17)
InChIKeyNJHMCXFIKVMKLT-UHFFFAOYSA-N
MW244.22 g/mol
LogP1.79
Rot. Bonds2

About N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide

N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide (PubChem CID 55119315) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide
PubChem CID55119315
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC NameN-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cc(F)c(F)c(F)c1)C1CCCN1
InChIInChI=1S/C11H11F3N2O/c12-7-4-6(5-8(13)10(7)14)16-11(17)9-2-1-3-15-9/h4-5,9,15H,1-3H2,(H,16,17)
InChIKeyNJHMCXFIKVMKLT-UHFFFAOYSA-N
XLogP1.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide
CID 113266184
(2R)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119707989
N-(3,4,5-trifluorophenyl)azepane-2-carboxamide
CID 64569548
N-(3,5-difluoro-4-iodophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119312522
N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide
CID 18073046
(2R)-N-(2,3,5,6-tetrafluorophenyl)pyrrolidine-2-carboxamide
CID 107641757
N-(4-chloro-3-fluorophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281092
(2R)-N-(3-chloro-5-fluorophenyl)pyrrolidine-2-carboxamide
CID 107365936
(2S)-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 67505940
(2S)-N-(4-fluoro-3-methylphenyl)pyrrolidine-2-carboxamide
CID 62812681
(2R)-N-(4-bromo-3,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 107574285
N-(3,5-dichloro-4-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 107680422

Frequently Asked Questions

What is the IUPAC name of N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide (CID 55119315) is N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide is O=C(Nc1cc(F)c(F)c(F)c1)C1CCCN1.
What is the InChIKey of N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide?
The InChIKey is NJHMCXFIKVMKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c12-7-4-6(5-8(13)10(7)14)16-11(17)9-2-1-3-15-9/h4-5,9,15H,1-3H2,(H,16,17).
What are the key properties of N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide?
N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide has a molecular weight of 244.22 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 55119315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).