1-(2-bromo-4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

C13H15BrN2O2 — CID 168696281

IUPAC1-(2-bromo-4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(N)=O)CC2=O)c(Br)c1
InChIInChI=1S/C13H15BrN2O2/c1-2-8-3-4-11(10(14)5-8)16-7-9(13(15)18)6-12(16)17/h3-5,9H,2,6-7H2,1H3,(H2,15,18)
InChIKeyWMZOMJGRJQOJOB-UHFFFAOYSA-N
MW311.18 g/mol
LogP1.85
Rot. Bonds3

About 1-(2-bromo-4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

1-(2-bromo-4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 168696281) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 1-(2-bromo-4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-bromo-4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID168696281
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name1-(2-bromo-4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(N)=O)CC2=O)c(Br)c1
InChIInChI=1S/C13H15BrN2O2/c1-2-8-3-4-11(10(14)5-8)16-7-9(13(15)18)6-12(16)17/h3-5,9H,2,6-7H2,1H3,(H2,15,18)
InChIKeyWMZOMJGRJQOJOB-UHFFFAOYSA-N
XLogP1.85
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(4-amino-2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 100804799
(3S)-1-(5-ethyl-2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 94076258
1-(2-bromo-4,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697672
1-(2,4-dibromo-5-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696507
1-(2-amino-5-bromo-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696736
1-[2-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168697662
1-(4-bromo-2,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697577
(3S)-1-(4-amino-2-ethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 100804800
1-(2-amino-5-bromo-6-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168696869
(3S)-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 94675568
1-(2-amino-5-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696923
1-(4-bromo-3-ethyl-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 50880480

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-bromo-4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 168696281) is 1-(2-bromo-4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-bromo-4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-bromo-4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1ccc(N2CC(C(N)=O)CC2=O)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WMZOMJGRJQOJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-2-8-3-4-11(10(14)5-8)16-7-9(13(15)18)6-12(16)17/h3-5,9H,2,6-7H2,1H3,(H2,15,18).
What are the key properties of 1-(2-bromo-4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(2-bromo-4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 311.18 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168696281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).