N-[2-(3,5-difluorophenoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide

C17H16F2N2O3 — CID 75520270

IUPACN-[2-(3,5-difluorophenoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1Oc1cc(F)cc(F)c1)N1CCC(O)C1
InChIInChI=1S/C17H16F2N2O3/c18-11-7-12(19)9-14(8-11)24-16-4-2-1-3-15(16)20-17(23)21-6-5-13(22)10-21/h1-4,7-9,13,22H,5-6,10H2,(H,20,23)
InChIKeyWPXFPUIQFXUHDX-UHFFFAOYSA-N
MW334.32 g/mol
LogP3.36
Rot. Bonds3

About N-[2-(3,5-difluorophenoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide

N-[2-(3,5-difluorophenoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide (PubChem CID 75520270) has the molecular formula C17H16F2N2O3 and a molecular weight of 334.32 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide
PubChem CID75520270
Molecular FormulaC17H16F2N2O3
Molecular Weight334.32 g/mol
Exact Mass334.11
IUPAC NameN-[2-(3,5-difluorophenoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1Oc1cc(F)cc(F)c1)N1CCC(O)C1
InChIInChI=1S/C17H16F2N2O3/c18-11-7-12(19)9-14(8-11)24-16-4-2-1-3-15(16)20-17(23)21-6-5-13(22)10-21/h1-4,7-9,13,22H,5-6,10H2,(H,20,23)
InChIKeyWPXFPUIQFXUHDX-UHFFFAOYSA-N
XLogP3.36
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-hydroxy-N-[2-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide
CID 111473314
N-(5-fluoro-2-phenoxyphenyl)-3-hydroxypiperidine-1-carboxamide
CID 110929977
N-(2-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 62917965
N-[2-(3,5-difluorophenoxy)phenyl]-2-hydroxycyclopentane-1-carboxamide
CID 110016234
(3S)-N-(2-ethoxy-4-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431407
N-(2-fluoro-6-phenoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 75502909
(3R)-3-amino-N-(2-phenoxyphenyl)pyrrolidine-1-carboxamide
CID 142326301
(3R)-N-[2,4-bis(difluoromethoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 124615460
(3R)-3-hydroxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 78931972
N-[2-(3,5-difluorophenoxy)phenyl]-4-methylmorpholine-2-carboxamide
CID 71919695
N-(5-fluoro-2-phenoxyphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110929978
N-(5-fluoro-2-phenoxyphenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 71854681

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(3,5-difluorophenoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide (CID 75520270) is N-[2-(3,5-difluorophenoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(3,5-difluorophenoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(3,5-difluorophenoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide is O=C(Nc1ccccc1Oc1cc(F)cc(F)c1)N1CCC(O)C1.
What is the InChIKey of N-[2-(3,5-difluorophenoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide?
The InChIKey is WPXFPUIQFXUHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3/c18-11-7-12(19)9-14(8-11)24-16-4-2-1-3-15(16)20-17(23)21-6-5-13(22)10-21/h1-4,7-9,13,22H,5-6,10H2,(H,20,23).
What are the key properties of N-[2-(3,5-difluorophenoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide?
N-[2-(3,5-difluorophenoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide has a molecular weight of 334.32 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide is sourced from PubChem (CID 75520270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).