1-(2-bromofuran-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide

C12H15BrN2O3 — CID 106151780

IUPAC1-(2-bromofuran-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C(=O)c2ccoc2Br)C1
InChIInChI=1S/C12H15BrN2O3/c1-12(11(17)14-2)4-5-15(7-12)10(16)8-3-6-18-9(8)13/h3,6H,4-5,7H2,1-2H3,(H,14,17)
InChIKeyFCMCMHDOJUSSOQ-UHFFFAOYSA-N
MW315.17 g/mol
LogP1.64
Rot. Bonds2

About 1-(2-bromofuran-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide

1-(2-bromofuran-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106151780) has the molecular formula C12H15BrN2O3 and a molecular weight of 315.17 g/mol. Its IUPAC name is 1-(2-bromofuran-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-bromofuran-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106151780
Molecular FormulaC12H15BrN2O3
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC Name1-(2-bromofuran-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C(=O)c2ccoc2Br)C1
InChIInChI=1S/C12H15BrN2O3/c1-12(11(17)14-2)4-5-15(7-12)10(16)8-3-6-18-9(8)13/h3,6H,4-5,7H2,1-2H3,(H,14,17)
InChIKeyFCMCMHDOJUSSOQ-UHFFFAOYSA-N
XLogP1.64
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-bromofuran-3-carbonyl)-N,3-dimethylpyrrolidine-3-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

1-(3-amino-2-bromobenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317517
(2-bromofuran-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 106852656
7-(2-bromofuran-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 106854189
1-(2,4-dihydroxybenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151768
(2-bromofuran-3-yl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404696
1-(4-amino-3-methylbenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317442
1-[4-(chloromethyl)benzoyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317992
2-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
CID 106317951
1-(2,6-dichloropyridine-4-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151782
(2-bromofuran-3-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 106853840
(2-bromofuran-3-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 106853680
4-(2-bromofuran-3-carbonyl)-N-ethylpiperazine-1-carboxamide
CID 106853377

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-bromofuran-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide (CID 106151780) is 1-(2-bromofuran-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-bromofuran-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-bromofuran-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(C(=O)c2ccoc2Br)C1.
What is the InChIKey of 1-(2-bromofuran-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is FCMCMHDOJUSSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3/c1-12(11(17)14-2)4-5-15(7-12)10(16)8-3-6-18-9(8)13/h3,6H,4-5,7H2,1-2H3,(H,14,17).
What are the key properties of 1-(2-bromofuran-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide?
1-(2-bromofuran-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 315.17 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromofuran-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106151780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).