(3S)-1-(2-fluorophenyl)-5-oxo-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrrolidine-3-carboxamide

C22H23FN2O4 — CID 30822278

IUPAC(3S)-1-(2-fluorophenyl)-5-oxo-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(OC[C@@H]2CCCO2)c1)[C@H]1CC(=O)N(c2ccccc2F)C1
InChIInChI=1S/C22H23FN2O4/c23-19-8-1-2-9-20(19)25-13-15(11-21(25)26)22(27)24-16-5-3-6-17(12-16)29-14-18-7-4-10-28-18/h1-3,5-6,8-9,12,15,18H,4,7,10-11,13-14H2,(H,24,27)/t15-,18-/m0/s1
InChIKeyLGSYVBMQHJNBKD-YJBOKZPZSA-N
MW398.43 g/mol
LogP3.38
Rot. Bonds6

About (3S)-1-(2-fluorophenyl)-5-oxo-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrrolidine-3-carboxamide

(3S)-1-(2-fluorophenyl)-5-oxo-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrrolidine-3-carboxamide (PubChem CID 30822278) has the molecular formula C22H23FN2O4 and a molecular weight of 398.43 g/mol. Its IUPAC name is (3S)-1-(2-fluorophenyl)-5-oxo-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-fluorophenyl)-5-oxo-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrrolidine-3-carboxamide
PubChem CID30822278
Molecular FormulaC22H23FN2O4
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC Name(3S)-1-(2-fluorophenyl)-5-oxo-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(OC[C@@H]2CCCO2)c1)[C@H]1CC(=O)N(c2ccccc2F)C1
InChIInChI=1S/C22H23FN2O4/c23-19-8-1-2-9-20(19)25-13-15(11-21(25)26)22(27)24-16-5-3-6-17(12-16)29-14-18-7-4-10-28-18/h1-3,5-6,8-9,12,15,18H,4,7,10-11,13-14H2,(H,24,27)/t15-,18-/m0/s1
InChIKeyLGSYVBMQHJNBKD-YJBOKZPZSA-N
XLogP3.38
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-5-methylphenyl)-5-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide
CID 43056031
1-benzyl-5-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide
CID 46802994
1-(2-fluorophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 580303
1-(cyclopropanecarbonyl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]piperidine-4-carboxamide
CID 38474824
N-(3-methoxyphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18885956
tert-butyl (3S)-3-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]piperidine-1-carboxylate
CID 38476608
1-(2,4-difluorophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113190639
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 56507833
5-oxo-1-phenyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-3-carboxamide
CID 55654529
1-(2,5-dichlorophenyl)-2-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide
CID 60568694
2-(9-oxoacridin-10-yl)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 42950421
(3S)-N-(3,5-dichlorophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529003

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-fluorophenyl)-5-oxo-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-fluorophenyl)-5-oxo-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrrolidine-3-carboxamide (CID 30822278) is (3S)-1-(2-fluorophenyl)-5-oxo-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-fluorophenyl)-5-oxo-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-fluorophenyl)-5-oxo-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrrolidine-3-carboxamide is O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)[C@H]1CC(=O)N(c2ccccc2F)C1.
What is the InChIKey of (3S)-1-(2-fluorophenyl)-5-oxo-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrrolidine-3-carboxamide?
The InChIKey is LGSYVBMQHJNBKD-YJBOKZPZSA-N. The full InChI is InChI=1S/C22H23FN2O4/c23-19-8-1-2-9-20(19)25-13-15(11-21(25)26)22(27)24-16-5-3-6-17(12-16)29-14-18-7-4-10-28-18/h1-3,5-6,8-9,12,15,18H,4,7,10-11,13-14H2,(H,24,27)/t15-,18-/m0/s1.
What are the key properties of (3S)-1-(2-fluorophenyl)-5-oxo-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrrolidine-3-carboxamide?
(3S)-1-(2-fluorophenyl)-5-oxo-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrrolidine-3-carboxamide has a molecular weight of 398.43 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-fluorophenyl)-5-oxo-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 30822278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).