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

C11H11F3N2O — CID 63005768

IUPACN-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cc(F)c(F)c(F)c1)C1CCNC1
InChIInChI=1S/C11H11F3N2O/c12-8-3-7(4-9(13)10(8)14)16-11(17)6-1-2-15-5-6/h3-4,6,15H,1-2,5H2,(H,16,17)
InChIKeyBDDIYTBEFJGSHB-UHFFFAOYSA-N
MW244.22 g/mol
LogP1.65
Rot. Bonds2

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

N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide (PubChem CID 63005768) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
PubChem CID63005768
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC NameN-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cc(F)c(F)c(F)c1)C1CCNC1
InChIInChI=1S/C11H11F3N2O/c12-8-3-7(4-9(13)10(8)14)16-11(17)6-1-2-15-5-6/h3-4,6,15H,1-2,5H2,(H,16,17)
InChIKeyBDDIYTBEFJGSHB-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
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

N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119708015
N-(3-chloro-5-fluorophenyl)pyrrolidine-3-carboxamide
CID 107365750
N-(3-fluoro-4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 55151531
N-(3,5-difluoro-4-iodophenyl)piperidine-4-carboxamide
CID 119312519
N-(2,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119708623
N-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006642
N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-3-carboxamide
CID 63007085
(3R)-N-(2-fluorophenyl)pyrrolidine-3-carboxamide
CID 94915553
N-(3,5-difluorophenyl)piperidine-4-carboxamide
CID 18072624
N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 63005932
N-(5-chloro-2-fluorophenyl)pyrrolidine-3-carboxamide
CID 63007340
N-(3-fluoro-5-methylphenyl)piperidine-3-carboxamide
CID 79050344

Frequently Asked Questions

What is the IUPAC name of N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide (CID 63005768) is N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide is O=C(Nc1cc(F)c(F)c(F)c1)C1CCNC1.
What is the InChIKey of N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide?
The InChIKey is BDDIYTBEFJGSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c12-8-3-7(4-9(13)10(8)14)16-11(17)6-1-2-15-5-6/h3-4,6,15H,1-2,5H2,(H,16,17).
What are the key properties of N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide?
N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide has a molecular weight of 244.22 g/mol, XLogP of 1.65, 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-3-carboxamide is sourced from PubChem (CID 63005768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).