2-(2-bromo-4-methylphenoxy)-N-(5-oxopyrrolidin-3-yl)propanamide

C14H17BrN2O3 — CID 136521511

IUPAC2-(2-bromo-4-methylphenoxy)-N-(5-oxopyrrolidin-3-yl)propanamide
SMILESCc1ccc(OC(C)C(=O)NC2CNC(=O)C2)c(Br)c1
InChIInChI=1S/C14H17BrN2O3/c1-8-3-4-12(11(15)5-8)20-9(2)14(19)17-10-6-13(18)16-7-10/h3-5,9-10H,6-7H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyGPDBWEWVKHCFQT-UHFFFAOYSA-N
MW341.21 g/mol
LogP1.53
Rot. Bonds4

About 2-(2-bromo-4-methylphenoxy)-N-(5-oxopyrrolidin-3-yl)propanamide

2-(2-bromo-4-methylphenoxy)-N-(5-oxopyrrolidin-3-yl)propanamide (PubChem CID 136521511) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-(5-oxopyrrolidin-3-yl)propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-(5-oxopyrrolidin-3-yl)propanamide
PubChem CID136521511
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-(5-oxopyrrolidin-3-yl)propanamide
SMILESCc1ccc(OC(C)C(=O)NC2CNC(=O)C2)c(Br)c1
InChIInChI=1S/C14H17BrN2O3/c1-8-3-4-12(11(15)5-8)20-9(2)14(19)17-10-6-13(18)16-7-10/h3-5,9-10H,6-7H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyGPDBWEWVKHCFQT-UHFFFAOYSA-N
XLogP1.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-methylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide
CID 120555471
2-(2-bromo-4-methylphenoxy)propanehydrazide
CID 2789718
2-(2-bromo-4-methylphenoxy)-N-(2-methylpiperidin-3-yl)propanamide
CID 120577698
(2R)-2-(2-bromo-4-methylphenoxy)-N-ethylpropanamide
CID 8643879
2-(2-bromo-4-methylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119510639
2-(2-bromo-4-methylphenoxy)-N-(3-hydroxypropyl)propanamide
CID 78888648
N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-methylphenoxy)propanamide
CID 120508965
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-bromo-4-methylphenoxy)propanamide
CID 119606088
2-(2-bromo-4-chlorophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 42885093
N-(4-aminophenyl)-2-(2-bromo-4-methylphenoxy)propanamide
CID 43200099
2-[[(2R)-2-(2-bromo-4-methylphenoxy)propanoyl]amino]-2-methylpropanamide
CID 94662462
2-(2-bromo-4-fluorophenoxy)-N-cyclopentylpropanamide
CID 43083012

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(5-oxopyrrolidin-3-yl)propanamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(5-oxopyrrolidin-3-yl)propanamide (CID 136521511) is 2-(2-bromo-4-methylphenoxy)-N-(5-oxopyrrolidin-3-yl)propanamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-(5-oxopyrrolidin-3-yl)propanamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-(5-oxopyrrolidin-3-yl)propanamide is Cc1ccc(OC(C)C(=O)NC2CNC(=O)C2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-(5-oxopyrrolidin-3-yl)propanamide?
The InChIKey is GPDBWEWVKHCFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c1-8-3-4-12(11(15)5-8)20-9(2)14(19)17-10-6-13(18)16-7-10/h3-5,9-10H,6-7H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-(5-oxopyrrolidin-3-yl)propanamide?
2-(2-bromo-4-methylphenoxy)-N-(5-oxopyrrolidin-3-yl)propanamide has a molecular weight of 341.21 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N-(5-oxopyrrolidin-3-yl)propanamide is sourced from PubChem (CID 136521511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).