4-hydroxy-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide

C12H13F3N2O3 — CID 43120856

IUPAC4-hydroxy-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)C1CC(O)CN1
InChIInChI=1S/C12H13F3N2O3/c13-12(14,15)20-9-3-1-2-7(4-9)17-11(19)10-5-8(18)6-16-10/h1-4,8,10,16,18H,5-6H2,(H,17,19)
InChIKeyNPALHIDNDREYEL-UHFFFAOYSA-N
MW290.24 g/mol
LogP1.25
Rot. Bonds3

About 4-hydroxy-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide

4-hydroxy-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide (PubChem CID 43120856) has the molecular formula C12H13F3N2O3 and a molecular weight of 290.24 g/mol. Its IUPAC name is 4-hydroxy-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
PubChem CID43120856
Molecular FormulaC12H13F3N2O3
Molecular Weight290.24 g/mol
Exact Mass290.09
IUPAC Name4-hydroxy-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)C1CC(O)CN1
InChIInChI=1S/C12H13F3N2O3/c13-12(14,15)20-9-3-1-2-7(4-9)17-11(19)10-5-8(18)6-16-10/h1-4,8,10,16,18H,5-6H2,(H,17,19)
InChIKeyNPALHIDNDREYEL-UHFFFAOYSA-N
XLogP1.25
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119670498
N-[3-(2-fluoroethoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119808988
4-methyl-N-[3-(trifluoromethoxy)phenyl]piperidine-2-carboxamide
CID 114422692
N-(3-bromophenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43120817
4-hydroxy-N-(3-iodophenyl)pyrrolidine-2-carboxamide
CID 43124625
(2R)-6-oxo-N-[3-(trifluoromethoxy)phenyl]piperazine-2-carboxamide
CID 142479947
N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119739957
N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119703130
N-[3-(difluoromethylsulfanyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119770525
N-[3-(trifluoromethoxy)phenyl]cyclohexanecarboxamide
CID 52560778
4-hydroxy-N-(3-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119670749
N-[3-fluoro-4-[2-(trifluoromethyl)phenoxy]phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119754433

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide (CID 43120856) is 4-hydroxy-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide is O=C(Nc1cccc(OC(F)(F)F)c1)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is NPALHIDNDREYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O3/c13-12(14,15)20-9-3-1-2-7(4-9)17-11(19)10-5-8(18)6-16-10/h1-4,8,10,16,18H,5-6H2,(H,17,19).
What are the key properties of 4-hydroxy-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide?
4-hydroxy-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 290.24 g/mol, XLogP of 1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 43120856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).