benzyl N-[(2R)-2-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamate

C18H17FN2O3 — CID 138725392

IUPACbenzyl N-[(2R)-2-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamate
SMILESO=C1CC(NC(=O)OCc2ccccc2)[C@@H](c2cccc(F)c2)N1
InChIInChI=1S/C18H17FN2O3/c19-14-8-4-7-13(9-14)17-15(10-16(22)21-17)20-18(23)24-11-12-5-2-1-3-6-12/h1-9,15,17H,10-11H2,(H,20,23)(H,21,22)/t15?,17-/m1/s1
InChIKeySQKYQYPREDJGBN-OMOCHNIRSA-N
MW328.34 g/mol
LogP2.68
Rot. Bonds4

About benzyl N-[(2R)-2-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamate

benzyl N-[(2R)-2-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamate (PubChem CID 138725392) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is benzyl N-[(2R)-2-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2R)-2-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamate
PubChem CID138725392
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Namebenzyl N-[(2R)-2-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamate
SMILESO=C1CC(NC(=O)OCc2ccccc2)[C@@H](c2cccc(F)c2)N1
InChIInChI=1S/C18H17FN2O3/c19-14-8-4-7-13(9-14)17-15(10-16(22)21-17)20-18(23)24-11-12-5-2-1-3-6-12/h1-9,15,17H,10-11H2,(H,20,23)(H,21,22)/t15?,17-/m1/s1
InChIKeySQKYQYPREDJGBN-OMOCHNIRSA-N
XLogP2.68
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamic acid
CID 138684995
benzyl N-[(3S)-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]carbamate
CID 164753968
benzyl N-[3-[(3-fluorophenyl)methylamino]cyclobutyl]carbamate
CID 103392944
benzyl N-(2-phenylpiperidin-3-yl)carbamate
CID 21197254
benzyl N-[(1S)-4-oxo-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 68602701
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-(2-phenylcyclopropyl)carbamate
CID 12682022
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
benzyl N-[(1R,2R)-2-aminocyclobutyl]carbamate
CID 135393121
benzyl N-[(1S,2R,4S,5S)-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 70892702
benzyl N-[(1S,2S,3S)-2,3-dihydroxycyclohexyl]carbamate
CID 57331884
benzyl N-[2-(3,4-difluorophenyl)cyclopropyl]carbamate
CID 123672506

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R)-2-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamate?
The IUPAC name of benzyl N-[(2R)-2-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamate (CID 138725392) is benzyl N-[(2R)-2-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(2R)-2-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamate?
The canonical SMILES for benzyl N-[(2R)-2-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamate is O=C1CC(NC(=O)OCc2ccccc2)[C@@H](c2cccc(F)c2)N1.
What is the InChIKey of benzyl N-[(2R)-2-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamate?
The InChIKey is SQKYQYPREDJGBN-OMOCHNIRSA-N. The full InChI is InChI=1S/C18H17FN2O3/c19-14-8-4-7-13(9-14)17-15(10-16(22)21-17)20-18(23)24-11-12-5-2-1-3-6-12/h1-9,15,17H,10-11H2,(H,20,23)(H,21,22)/t15?,17-/m1/s1.
What are the key properties of benzyl N-[(2R)-2-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamate?
benzyl N-[(2R)-2-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamate has a molecular weight of 328.34 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R)-2-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamate is sourced from PubChem (CID 138725392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).