1-(4-bromo-1-ethylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide

C12H16BrN3O2 — CID 43641316

IUPAC1-(4-bromo-1-ethylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)N1CCCC1C(N)=O
InChIInChI=1S/C12H16BrN3O2/c1-2-15-7-8(13)6-10(15)12(18)16-5-3-4-9(16)11(14)17/h6-7,9H,2-5H2,1H3,(H2,14,17)
InChIKeyRRFDQWPOALITOK-UHFFFAOYSA-N
MW314.18 g/mol
LogP1.36
Rot. Bonds3

About 1-(4-bromo-1-ethylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide

1-(4-bromo-1-ethylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 43641316) has the molecular formula C12H16BrN3O2 and a molecular weight of 314.18 g/mol. Its IUPAC name is 1-(4-bromo-1-ethylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID43641316
Molecular FormulaC12H16BrN3O2
Molecular Weight314.18 g/mol
Exact Mass313.04
IUPAC Name1-(4-bromo-1-ethylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)N1CCCC1C(N)=O
InChIInChI=1S/C12H16BrN3O2/c1-2-15-7-8(13)6-10(15)12(18)16-5-3-4-9(16)11(14)17/h6-7,9H,2-5H2,1H3,(H2,14,17)
InChIKeyRRFDQWPOALITOK-UHFFFAOYSA-N
XLogP1.36
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-1-ethylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-1-ethylpyrrol-2-yl)methanone;hydrochloride
CID 119631149
(4-aminopiperidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone
CID 43639622
(4-bromo-1-ethylpyrrol-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 60955318
1-(4-amino-1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide
CID 43643152
(4-bromo-1-ethylpyrrol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832479
(4-bromo-1-ethylpyrrol-2-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 43641435
1-(4-bromo-1-ethylpyrrole-2-carbonyl)piperidine-4-carboxylic acid
CID 43639541
1-(1-ethyl-4-nitropyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 43639675
1-(3-bromo-4-methylbenzoyl)pyrrolidine-2-carboxamide
CID 79458993
1-(4-bromo-1-ethylpyrrole-2-carbonyl)pyrrolidin-2-one
CID 60955284
(2R)-1-(5-bromo-2-chlorobenzoyl)pyrrolidine-2-carboxamide
CID 93418929
(4-bromo-1-ethylpyrrol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63764298

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-bromo-1-ethylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide (CID 43641316) is 1-(4-bromo-1-ethylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-bromo-1-ethylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide is CCn1cc(Br)cc1C(=O)N1CCCC1C(N)=O.
What is the InChIKey of 1-(4-bromo-1-ethylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is RRFDQWPOALITOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2/c1-2-15-7-8(13)6-10(15)12(18)16-5-3-4-9(16)11(14)17/h6-7,9H,2-5H2,1H3,(H2,14,17).
What are the key properties of 1-(4-bromo-1-ethylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide?
1-(4-bromo-1-ethylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 314.18 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-ethylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 43641316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).