(2R)-N-(2,3,5,6-tetrafluorophenyl)pyrrolidine-2-carboxamide

C11H10F4N2O — CID 107641757

IUPAC(2R)-N-(2,3,5,6-tetrafluorophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1c(F)c(F)cc(F)c1F)[C@H]1CCCN1
InChIInChI=1S/C11H10F4N2O/c12-5-4-6(13)9(15)10(8(5)14)17-11(18)7-2-1-3-16-7/h4,7,16H,1-3H2,(H,17,18)/t7-/m1/s1
InChIKeyAQJCCYPWJQJRHZ-SSDOTTSWSA-N
MW262.21 g/mol
LogP1.93
Rot. Bonds2

About (2R)-N-(2,3,5,6-tetrafluorophenyl)pyrrolidine-2-carboxamide

(2R)-N-(2,3,5,6-tetrafluorophenyl)pyrrolidine-2-carboxamide (PubChem CID 107641757) has the molecular formula C11H10F4N2O and a molecular weight of 262.21 g/mol. Its IUPAC name is (2R)-N-(2,3,5,6-tetrafluorophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2,3,5,6-tetrafluorophenyl)pyrrolidine-2-carboxamide
PubChem CID107641757
Molecular FormulaC11H10F4N2O
Molecular Weight262.21 g/mol
Exact Mass262.07
IUPAC Name(2R)-N-(2,3,5,6-tetrafluorophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1c(F)c(F)cc(F)c1F)[C@H]1CCCN1
InChIInChI=1S/C11H10F4N2O/c12-5-4-6(13)9(15)10(8(5)14)17-11(18)7-2-1-3-16-7/h4,7,16H,1-3H2,(H,17,18)/t7-/m1/s1
InChIKeyAQJCCYPWJQJRHZ-SSDOTTSWSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide
CID 55119315
N-(2,6-difluorophenyl)pyrrolidine-2-carboxamide
CID 43124050
(2S)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide
CID 113266184
3-methyl-N-(2,3,5,6-tetrafluorophenyl)piperidine-2-carboxamide
CID 107641806
N-(3,4,5-trifluorophenyl)azepane-2-carboxamide
CID 64569548
(2R)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119707989
N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide
CID 18073046
N-(3,5-difluoro-4-iodophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119312522
N-(2,5-difluoro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 103586065
N-(2-chloro-4,6-difluorophenyl)piperidine-2-carboxamide
CID 83087927
(2S)-N-anthracen-9-ylpyrrolidine-2-carboxamide
CID 121274960
N-(4-bromo-2,6-dichlorophenyl)pyrrolidine-2-carboxamide
CID 43126702

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,3,5,6-tetrafluorophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(2,3,5,6-tetrafluorophenyl)pyrrolidine-2-carboxamide (CID 107641757) is (2R)-N-(2,3,5,6-tetrafluorophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2,3,5,6-tetrafluorophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2,3,5,6-tetrafluorophenyl)pyrrolidine-2-carboxamide is O=C(Nc1c(F)c(F)cc(F)c1F)[C@H]1CCCN1.
What is the InChIKey of (2R)-N-(2,3,5,6-tetrafluorophenyl)pyrrolidine-2-carboxamide?
The InChIKey is AQJCCYPWJQJRHZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H10F4N2O/c12-5-4-6(13)9(15)10(8(5)14)17-11(18)7-2-1-3-16-7/h4,7,16H,1-3H2,(H,17,18)/t7-/m1/s1.
What are the key properties of (2R)-N-(2,3,5,6-tetrafluorophenyl)pyrrolidine-2-carboxamide?
(2R)-N-(2,3,5,6-tetrafluorophenyl)pyrrolidine-2-carboxamide has a molecular weight of 262.21 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,3,5,6-tetrafluorophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 107641757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).