tert-butyl N-[2-[2-(2-fluoro-6-methylbenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate

C19H25FN2O4 — CID 121482787

IUPACtert-butyl N-[2-[2-(2-fluoro-6-methylbenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate
SMILESCc1cccc(F)c1C(=O)C1CCC(=O)N1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C19H25FN2O4/c1-12-6-5-7-13(20)16(12)17(24)14-8-9-15(23)22(14)11-10-21-18(25)26-19(2,3)4/h5-7,14H,8-11H2,1-4H3,(H,21,25)
InChIKeyPJUHAASSSGMXCF-UHFFFAOYSA-N
MW364.42 g/mol
LogP2.83
Rot. Bonds5

About tert-butyl N-[2-[2-(2-fluoro-6-methylbenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate

tert-butyl N-[2-[2-(2-fluoro-6-methylbenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate (PubChem CID 121482787) has the molecular formula C19H25FN2O4 and a molecular weight of 364.42 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(2-fluoro-6-methylbenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-(2-fluoro-6-methylbenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate
PubChem CID121482787
Molecular FormulaC19H25FN2O4
Molecular Weight364.42 g/mol
Exact Mass364.18
IUPAC Nametert-butyl N-[2-[2-(2-fluoro-6-methylbenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate
SMILESCc1cccc(F)c1C(=O)C1CCC(=O)N1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C19H25FN2O4/c1-12-6-5-7-13(20)16(12)17(24)14-8-9-15(23)22(14)11-10-21-18(25)26-19(2,3)4/h5-7,14H,8-11H2,1-4H3,(H,21,25)
InChIKeyPJUHAASSSGMXCF-UHFFFAOYSA-N
XLogP2.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-(2-fluoro-6-methylbenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-(2-fluoro-6-methylbenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate (CID 121482787) is tert-butyl N-[2-[2-(2-fluoro-6-methylbenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-(2-fluoro-6-methylbenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-(2-fluoro-6-methylbenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate is Cc1cccc(F)c1C(=O)C1CCC(=O)N1CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[2-(2-fluoro-6-methylbenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate?
The InChIKey is PJUHAASSSGMXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O4/c1-12-6-5-7-13(20)16(12)17(24)14-8-9-15(23)22(14)11-10-21-18(25)26-19(2,3)4/h5-7,14H,8-11H2,1-4H3,(H,21,25).
What are the key properties of tert-butyl N-[2-[2-(2-fluoro-6-methylbenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate?
tert-butyl N-[2-[2-(2-fluoro-6-methylbenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate has a molecular weight of 364.42 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-(2-fluoro-6-methylbenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate is sourced from PubChem (CID 121482787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).