(3-aminopyrrolidin-1-yl)-(3-bromo-5-fluorophenyl)methanone

C11H12BrFN2O — CID 62067197

IUPAC(3-aminopyrrolidin-1-yl)-(3-bromo-5-fluorophenyl)methanone
SMILESNC1CCN(C(=O)c2cc(F)cc(Br)c2)C1
InChIInChI=1S/C11H12BrFN2O/c12-8-3-7(4-9(13)5-8)11(16)15-2-1-10(14)6-15/h3-5,10H,1-2,6,14H2
InChIKeyHHWSLJWKUFIELO-UHFFFAOYSA-N
MW287.13 g/mol
LogP1.76
Rot. Bonds1

About (3-aminopyrrolidin-1-yl)-(3-bromo-5-fluorophenyl)methanone

(3-aminopyrrolidin-1-yl)-(3-bromo-5-fluorophenyl)methanone (PubChem CID 62067197) has the molecular formula C11H12BrFN2O and a molecular weight of 287.13 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-(3-bromo-5-fluorophenyl)methanone.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-(3-bromo-5-fluorophenyl)methanone
PubChem CID62067197
Molecular FormulaC11H12BrFN2O
Molecular Weight287.13 g/mol
Exact Mass286.01
IUPAC Name(3-aminopyrrolidin-1-yl)-(3-bromo-5-fluorophenyl)methanone
SMILESNC1CCN(C(=O)c2cc(F)cc(Br)c2)C1
InChIInChI=1S/C11H12BrFN2O/c12-8-3-7(4-9(13)5-8)11(16)15-2-1-10(14)6-15/h3-5,10H,1-2,6,14H2
InChIKeyHHWSLJWKUFIELO-UHFFFAOYSA-N
XLogP1.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.13
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-aminopyrrolidin-1-yl)-(3-bromo-5-fluorophenyl)methanone 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

(3-aminoazetidin-1-yl)-(3-bromo-5-fluorophenyl)methanone
CID 65244996
(3-bromo-5-fluorophenyl)-(4-chloropiperidin-1-yl)methanone
CID 63390803
[(3S)-3-aminopyrrolidin-1-yl]-[3-fluoro-5-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119934620
[4-(1-aminoethyl)piperidin-1-yl]-(3-bromo-5-fluorophenyl)methanone
CID 55216485
(3-bromo-5-fluorophenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120995836
[(3R)-3-aminopyrrolidin-1-yl]-(3,5-dihydroxyphenyl)methanone
CID 107705169
[(3S)-3-aminopyrrolidin-1-yl]-(3-bromo-4-fluorophenyl)methanone;hydrochloride
CID 119934528
[3-(bromomethyl)pyrrolidin-1-yl]-(3,5-dibromophenyl)methanone
CID 107974926
(3-bromo-5-fluorophenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119576853
(3-bromo-5-fluorophenyl)-[3-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 110612224
(3-aminopyrrolidin-1-yl)-(3-bromo-2-chloro-5-fluorophenyl)methanone;hydrochloride
CID 171921513
4-(3-bromo-5-fluorobenzoyl)piperazine-1-sulfonamide
CID 61131092

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-(3-bromo-5-fluorophenyl)methanone?
The IUPAC name of (3-aminopyrrolidin-1-yl)-(3-bromo-5-fluorophenyl)methanone (CID 62067197) is (3-aminopyrrolidin-1-yl)-(3-bromo-5-fluorophenyl)methanone.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-(3-bromo-5-fluorophenyl)methanone?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-(3-bromo-5-fluorophenyl)methanone is NC1CCN(C(=O)c2cc(F)cc(Br)c2)C1.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-(3-bromo-5-fluorophenyl)methanone?
The InChIKey is HHWSLJWKUFIELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN2O/c12-8-3-7(4-9(13)5-8)11(16)15-2-1-10(14)6-15/h3-5,10H,1-2,6,14H2.
What are the key properties of (3-aminopyrrolidin-1-yl)-(3-bromo-5-fluorophenyl)methanone?
(3-aminopyrrolidin-1-yl)-(3-bromo-5-fluorophenyl)methanone has a molecular weight of 287.13 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-(3-bromo-5-fluorophenyl)methanone is sourced from PubChem (CID 62067197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).