1-(4-bromo-3-ethyl-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C14H17BrN2O2 — CID 50880480

IUPAC1-(4-bromo-3-ethyl-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cc(N2CC(C(N)=O)CC2=O)cc(C)c1Br
InChIInChI=1S/C14H17BrN2O2/c1-3-9-5-11(4-8(2)13(9)15)17-7-10(14(16)19)6-12(17)18/h4-5,10H,3,6-7H2,1-2H3,(H2,16,19)
InChIKeyQZIIWNGZMGLFPT-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.16
Rot. Bonds3

About 1-(4-bromo-3-ethyl-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide

1-(4-bromo-3-ethyl-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 50880480) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 1-(4-bromo-3-ethyl-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-bromo-3-ethyl-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID50880480
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name1-(4-bromo-3-ethyl-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cc(N2CC(C(N)=O)CC2=O)cc(C)c1Br
InChIInChI=1S/C14H17BrN2O2/c1-3-9-5-11(4-8(2)13(9)15)17-7-10(14(16)19)6-12(17)18/h4-5,10H,3,6-7H2,1-2H3,(H2,16,19)
InChIKeyQZIIWNGZMGLFPT-UHFFFAOYSA-N
XLogP2.16
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(4-bromo-3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 94068718
(3S)-1-(3-ethyl-4-iodo-5-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 94068742
1-(5-bromo-4,6-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168696971
methyl 1-(3-ethyl-4-iodo-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 50880504
(3R)-1-(4-amino-2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 100804799
1-(2-amino-5-bromo-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696736
1-(2-amino-5-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696923
1-(4-acetamido-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696117
1-(2-bromo-4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696281
5-oxo-1-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 168697904
1-(4-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697901
1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120547

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-ethyl-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-bromo-3-ethyl-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 50880480) is 1-(4-bromo-3-ethyl-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-bromo-3-ethyl-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-bromo-3-ethyl-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1cc(N2CC(C(N)=O)CC2=O)cc(C)c1Br.
What is the InChIKey of 1-(4-bromo-3-ethyl-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QZIIWNGZMGLFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-3-9-5-11(4-8(2)13(9)15)17-7-10(14(16)19)6-12(17)18/h4-5,10H,3,6-7H2,1-2H3,(H2,16,19).
What are the key properties of 1-(4-bromo-3-ethyl-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(4-bromo-3-ethyl-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 325.21 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-ethyl-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 50880480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).