methyl N-[(3S)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]carbamate

C19H19FN2O4 — CID 10451017

IUPACmethyl N-[(3S)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]carbamate
SMILESCOC(=O)N[C@H]1CCN(c2ccc(OCc3cccc(F)c3)cc2)C1=O
InChIInChI=1S/C19H19FN2O4/c1-25-19(24)21-17-9-10-22(18(17)23)15-5-7-16(8-6-15)26-12-13-3-2-4-14(20)11-13/h2-8,11,17H,9-10,12H2,1H3,(H,21,24)/t17-/m0/s1
InChIKeyZBAGLGKCDJXWMV-KRWDZBQOSA-N
MW358.37 g/mol
LogP2.87
Rot. Bonds5

About methyl N-[(3S)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]carbamate

methyl N-[(3S)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]carbamate (PubChem CID 10451017) has the molecular formula C19H19FN2O4 and a molecular weight of 358.37 g/mol. Its IUPAC name is methyl N-[(3S)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(3S)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]carbamate
PubChem CID10451017
Molecular FormulaC19H19FN2O4
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC Namemethyl N-[(3S)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]carbamate
SMILESCOC(=O)N[C@H]1CCN(c2ccc(OCc3cccc(F)c3)cc2)C1=O
InChIInChI=1S/C19H19FN2O4/c1-25-19(24)21-17-9-10-22(18(17)23)15-5-7-16(8-6-15)26-12-13-3-2-4-14(20)11-13/h2-8,11,17H,9-10,12H2,1H3,(H,21,24)/t17-/m0/s1
InChIKeyZBAGLGKCDJXWMV-KRWDZBQOSA-N
XLogP2.87
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(3S)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]carbamate?
The IUPAC name of methyl N-[(3S)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]carbamate (CID 10451017) is methyl N-[(3S)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]carbamate.
What is the SMILES notation for methyl N-[(3S)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]carbamate?
The canonical SMILES for methyl N-[(3S)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]carbamate is COC(=O)N[C@H]1CCN(c2ccc(OCc3cccc(F)c3)cc2)C1=O.
What is the InChIKey of methyl N-[(3S)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]carbamate?
The InChIKey is ZBAGLGKCDJXWMV-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19FN2O4/c1-25-19(24)21-17-9-10-22(18(17)23)15-5-7-16(8-6-15)26-12-13-3-2-4-14(20)11-13/h2-8,11,17H,9-10,12H2,1H3,(H,21,24)/t17-/m0/s1.
What are the key properties of methyl N-[(3S)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]carbamate?
methyl N-[(3S)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]carbamate has a molecular weight of 358.37 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(3S)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]carbamate is sourced from PubChem (CID 10451017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).