N-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-[(2R)-oxolan-2-yl]propanamide

C17H23FN2O2 — CID 94812188

IUPACN-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-[(2R)-oxolan-2-yl]propanamide
SMILESO=C(CC[C@H]1CCCO1)Nc1cc(F)cc(N2CCCC2)c1
InChIInChI=1S/C17H23FN2O2/c18-13-10-14(12-15(11-13)20-7-1-2-8-20)19-17(21)6-5-16-4-3-9-22-16/h10-12,16H,1-9H2,(H,19,21)/t16-/m1/s1
InChIKeyMCKKTMYOERTKJN-MRXNPFEDSA-N
MW306.38 g/mol
LogP3.32
Rot. Bonds5

About N-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-[(2R)-oxolan-2-yl]propanamide

N-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-[(2R)-oxolan-2-yl]propanamide (PubChem CID 94812188) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is N-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-[(2R)-oxolan-2-yl]propanamide.

Molecular Properties

Compound NameN-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-[(2R)-oxolan-2-yl]propanamide
PubChem CID94812188
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC NameN-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-[(2R)-oxolan-2-yl]propanamide
SMILESO=C(CC[C@H]1CCCO1)Nc1cc(F)cc(N2CCCC2)c1
InChIInChI=1S/C17H23FN2O2/c18-13-10-14(12-15(11-13)20-7-1-2-8-20)19-17(21)6-5-16-4-3-9-22-16/h10-12,16H,1-9H2,(H,19,21)/t16-/m1/s1
InChIKeyMCKKTMYOERTKJN-MRXNPFEDSA-N
XLogP3.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-[(2R)-oxolan-2-yl]propanamide?
The IUPAC name of N-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-[(2R)-oxolan-2-yl]propanamide (CID 94812188) is N-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-[(2R)-oxolan-2-yl]propanamide.
What is the SMILES notation for N-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-[(2R)-oxolan-2-yl]propanamide?
The canonical SMILES for N-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-[(2R)-oxolan-2-yl]propanamide is O=C(CC[C@H]1CCCO1)Nc1cc(F)cc(N2CCCC2)c1.
What is the InChIKey of N-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-[(2R)-oxolan-2-yl]propanamide?
The InChIKey is MCKKTMYOERTKJN-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23FN2O2/c18-13-10-14(12-15(11-13)20-7-1-2-8-20)19-17(21)6-5-16-4-3-9-22-16/h10-12,16H,1-9H2,(H,19,21)/t16-/m1/s1.
What are the key properties of N-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-[(2R)-oxolan-2-yl]propanamide?
N-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-[(2R)-oxolan-2-yl]propanamide has a molecular weight of 306.38 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-[(2R)-oxolan-2-yl]propanamide is sourced from PubChem (CID 94812188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).