N-(2-fluoro-6-phenoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide

C17H17FN2O3 — CID 75502909

IUPACN-(2-fluoro-6-phenoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide
SMILESO=C(Nc1c(F)cccc1Oc1ccccc1)N1CCC(O)C1
InChIInChI=1S/C17H17FN2O3/c18-14-7-4-8-15(23-13-5-2-1-3-6-13)16(14)19-17(22)20-10-9-12(21)11-20/h1-8,12,21H,9-11H2,(H,19,22)
InChIKeyQRDGYGFDYBYEQQ-UHFFFAOYSA-N
MW316.33 g/mol
LogP3.22
Rot. Bonds3

About N-(2-fluoro-6-phenoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide

N-(2-fluoro-6-phenoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide (PubChem CID 75502909) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is N-(2-fluoro-6-phenoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-6-phenoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide
PubChem CID75502909
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC NameN-(2-fluoro-6-phenoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide
SMILESO=C(Nc1c(F)cccc1Oc1ccccc1)N1CCC(O)C1
InChIInChI=1S/C17H17FN2O3/c18-14-7-4-8-15(23-13-5-2-1-3-6-13)16(14)19-17(22)20-10-9-12(21)11-20/h1-8,12,21H,9-11H2,(H,19,22)
InChIKeyQRDGYGFDYBYEQQ-UHFFFAOYSA-N
XLogP3.22
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoro-6-phenoxyphenyl)-4-propoxyazepane-1-carboxamide
CID 86900798
N-[2-(3,5-difluorophenoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 75520270
N-(2-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 62917965
N-(5-fluoro-2-phenoxyphenyl)-3-hydroxypiperidine-1-carboxamide
CID 110929977
(3S)-3-hydroxy-N-[2-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide
CID 111473314
N-(2-fluoro-6-phenoxyphenyl)-2,2-dimethylpyrrolidine-1-carboxamide
CID 86899147
(3R)-N-(2,6-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431144
(3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63362733
(3R)-3-amino-N-(2-phenoxyphenyl)pyrrolidine-1-carboxamide
CID 142326301
(3S)-N-(2-fluoro-6-methoxyphenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 99826576
2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-3-methylbenzoic acid
CID 62941573
3-hydroxy-N-[4-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide
CID 75502896

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-6-phenoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide?
The IUPAC name of N-(2-fluoro-6-phenoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide (CID 75502909) is N-(2-fluoro-6-phenoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-fluoro-6-phenoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-fluoro-6-phenoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide is O=C(Nc1c(F)cccc1Oc1ccccc1)N1CCC(O)C1.
What is the InChIKey of N-(2-fluoro-6-phenoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide?
The InChIKey is QRDGYGFDYBYEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c18-14-7-4-8-15(23-13-5-2-1-3-6-13)16(14)19-17(22)20-10-9-12(21)11-20/h1-8,12,21H,9-11H2,(H,19,22).
What are the key properties of N-(2-fluoro-6-phenoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide?
N-(2-fluoro-6-phenoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide has a molecular weight of 316.33 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-6-phenoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide is sourced from PubChem (CID 75502909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).