1-[2-[1-(5-bromofuran-2-yl)ethylamino]phenyl]pyrrolidin-2-one

C16H17BrN2O2 — CID 104652182

IUPAC1-[2-[1-(5-bromofuran-2-yl)ethylamino]phenyl]pyrrolidin-2-one
SMILESCC(Nc1ccccc1N1CCCC1=O)c1ccc(Br)o1
InChIInChI=1S/C16H17BrN2O2/c1-11(14-8-9-15(17)21-14)18-12-5-2-3-6-13(12)19-10-4-7-16(19)20/h2-3,5-6,8-9,11,18H,4,7,10H2,1H3
InChIKeyLHHXEVZYFNELPG-UHFFFAOYSA-N
MW349.23 g/mol
LogP4.34
Rot. Bonds4

About 1-[2-[1-(5-bromofuran-2-yl)ethylamino]phenyl]pyrrolidin-2-one

1-[2-[1-(5-bromofuran-2-yl)ethylamino]phenyl]pyrrolidin-2-one (PubChem CID 104652182) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 1-[2-[1-(5-bromofuran-2-yl)ethylamino]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(5-bromofuran-2-yl)ethylamino]phenyl]pyrrolidin-2-one
PubChem CID104652182
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name1-[2-[1-(5-bromofuran-2-yl)ethylamino]phenyl]pyrrolidin-2-one
SMILESCC(Nc1ccccc1N1CCCC1=O)c1ccc(Br)o1
InChIInChI=1S/C16H17BrN2O2/c1-11(14-8-9-15(17)21-14)18-12-5-2-3-6-13(12)19-10-4-7-16(19)20/h2-3,5-6,8-9,11,18H,4,7,10H2,1H3
InChIKeyLHHXEVZYFNELPG-UHFFFAOYSA-N
XLogP4.34
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]pyrrolidin-2-one
CID 43103289
2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 46616352
1-[2-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one
CID 115928567
2-bromo-3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 61250864
1-[2-(oxan-4-ylamino)phenyl]pyrrolidin-2-one
CID 43608552
1-[2-(1-thiophen-2-ylpropylamino)phenyl]pyrrolidin-2-one
CID 43106173
N-[2-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide
CID 60675578
(2R)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51465606
1-[2-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]pyrrolidin-2-one
CID 107441227
1-[2-(oxolan-3-ylamino)phenyl]pyrrolidin-2-one
CID 63331370
N-[1-(5-bromofuran-2-yl)ethyl]-2-(difluoromethylsulfanyl)aniline
CID 104652024
1-[2-(benzylamino)phenyl]pyrrolidin-2-one
CID 28682033

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(5-bromofuran-2-yl)ethylamino]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-(5-bromofuran-2-yl)ethylamino]phenyl]pyrrolidin-2-one (CID 104652182) is 1-[2-[1-(5-bromofuran-2-yl)ethylamino]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-(5-bromofuran-2-yl)ethylamino]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-(5-bromofuran-2-yl)ethylamino]phenyl]pyrrolidin-2-one is CC(Nc1ccccc1N1CCCC1=O)c1ccc(Br)o1.
What is the InChIKey of 1-[2-[1-(5-bromofuran-2-yl)ethylamino]phenyl]pyrrolidin-2-one?
The InChIKey is LHHXEVZYFNELPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-11(14-8-9-15(17)21-14)18-12-5-2-3-6-13(12)19-10-4-7-16(19)20/h2-3,5-6,8-9,11,18H,4,7,10H2,1H3.
What are the key properties of 1-[2-[1-(5-bromofuran-2-yl)ethylamino]phenyl]pyrrolidin-2-one?
1-[2-[1-(5-bromofuran-2-yl)ethylamino]phenyl]pyrrolidin-2-one has a molecular weight of 349.23 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(5-bromofuran-2-yl)ethylamino]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 104652182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).