N-[3-fluoro-4-[2-(trifluoromethyl)phenoxy]phenyl]-4-hydroxypyrrolidine-2-carboxamide

C18H16F4N2O3 — CID 119754433

IUPACN-[3-fluoro-4-[2-(trifluoromethyl)phenoxy]phenyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1)C1CC(O)CN1
InChIInChI=1S/C18H16F4N2O3/c19-13-7-10(24-17(26)14-8-11(25)9-23-14)5-6-16(13)27-15-4-2-1-3-12(15)18(20,21)22/h1-7,11,14,23,25H,8-9H2,(H,24,26)
InChIKeyWARHKWOWKKZMSE-UHFFFAOYSA-N
MW384.33 g/mol
LogP3.30
Rot. Bonds4

About N-[3-fluoro-4-[2-(trifluoromethyl)phenoxy]phenyl]-4-hydroxypyrrolidine-2-carboxamide

N-[3-fluoro-4-[2-(trifluoromethyl)phenoxy]phenyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 119754433) has the molecular formula C18H16F4N2O3 and a molecular weight of 384.33 g/mol. Its IUPAC name is N-[3-fluoro-4-[2-(trifluoromethyl)phenoxy]phenyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[2-(trifluoromethyl)phenoxy]phenyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID119754433
Molecular FormulaC18H16F4N2O3
Molecular Weight384.33 g/mol
Exact Mass384.11
IUPAC NameN-[3-fluoro-4-[2-(trifluoromethyl)phenoxy]phenyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1)C1CC(O)CN1
InChIInChI=1S/C18H16F4N2O3/c19-13-7-10(24-17(26)14-8-11(25)9-23-14)5-6-16(13)27-15-4-2-1-3-12(15)18(20,21)22/h1-7,11,14,23,25H,8-9H2,(H,24,26)
InChIKeyWARHKWOWKKZMSE-UHFFFAOYSA-N
XLogP3.30
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.33
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119898286
4-hydroxy-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 43120856
N-(4-fluoro-3-nitrophenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43708447
N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43701547
4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119670498
4-hydroxy-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyrrolidine-2-carboxamide
CID 119878540
N-(9H-fluoren-2-yl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119680258
N-(3-fluoro-4-methoxyphenyl)-5-methylpiperazine-2-carboxamide
CID 63103656
N-(3-chloro-4-ethoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 54862536
4-hydroxy-N-(3-iodophenyl)pyrrolidine-2-carboxamide
CID 43124625
N-(3-bromophenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43120817
N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119739957

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[2-(trifluoromethyl)phenoxy]phenyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-[3-fluoro-4-[2-(trifluoromethyl)phenoxy]phenyl]-4-hydroxypyrrolidine-2-carboxamide (CID 119754433) is N-[3-fluoro-4-[2-(trifluoromethyl)phenoxy]phenyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[2-(trifluoromethyl)phenoxy]phenyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[2-(trifluoromethyl)phenoxy]phenyl]-4-hydroxypyrrolidine-2-carboxamide is O=C(Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1)C1CC(O)CN1.
What is the InChIKey of N-[3-fluoro-4-[2-(trifluoromethyl)phenoxy]phenyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is WARHKWOWKKZMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N2O3/c19-13-7-10(24-17(26)14-8-11(25)9-23-14)5-6-16(13)27-15-4-2-1-3-12(15)18(20,21)22/h1-7,11,14,23,25H,8-9H2,(H,24,26).
What are the key properties of N-[3-fluoro-4-[2-(trifluoromethyl)phenoxy]phenyl]-4-hydroxypyrrolidine-2-carboxamide?
N-[3-fluoro-4-[2-(trifluoromethyl)phenoxy]phenyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 384.33 g/mol, XLogP of 3.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[2-(trifluoromethyl)phenoxy]phenyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 119754433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).