(2-bromo-5-fluoro-4-methylphenyl)-(2-methylpyrrolidin-1-yl)methanone

C13H15BrFNO — CID 172913966

IUPAC(2-bromo-5-fluoro-4-methylphenyl)-(2-methylpyrrolidin-1-yl)methanone
SMILESCc1cc(Br)c(C(=O)N2CCCC2C)cc1F
InChIInChI=1S/C13H15BrFNO/c1-8-6-11(14)10(7-12(8)15)13(17)16-5-3-4-9(16)2/h6-7,9H,3-5H2,1-2H3
InChIKeyARNLSEWPKLMBTR-UHFFFAOYSA-N
MW300.17 g/mol
LogP3.52
Rot. Bonds1

About (2-bromo-5-fluoro-4-methylphenyl)-(2-methylpyrrolidin-1-yl)methanone

(2-bromo-5-fluoro-4-methylphenyl)-(2-methylpyrrolidin-1-yl)methanone (PubChem CID 172913966) has the molecular formula C13H15BrFNO and a molecular weight of 300.17 g/mol. Its IUPAC name is (2-bromo-5-fluoro-4-methylphenyl)-(2-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-bromo-5-fluoro-4-methylphenyl)-(2-methylpyrrolidin-1-yl)methanone
PubChem CID172913966
Molecular FormulaC13H15BrFNO
Molecular Weight300.17 g/mol
Exact Mass299.03
IUPAC Name(2-bromo-5-fluoro-4-methylphenyl)-(2-methylpyrrolidin-1-yl)methanone
SMILESCc1cc(Br)c(C(=O)N2CCCC2C)cc1F
InChIInChI=1S/C13H15BrFNO/c1-8-6-11(14)10(7-12(8)15)13(17)16-5-3-4-9(16)2/h6-7,9H,3-5H2,1-2H3
InChIKeyARNLSEWPKLMBTR-UHFFFAOYSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.17
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2-bromo-5-fluoro-4-methylphenyl)-(2-methylpyrrolidin-1-yl)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

(4-bromo-2-fluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 167312115
(2-bromo-5-fluoro-4-methylphenyl)-piperidin-1-ylmethanone
CID 172913969
(5-chloro-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 61146717
(2,3-difluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 593303
(2,5-difluoro-4-methylphenyl)-[(5R)-5-methyl-1,4-thiazepan-4-yl]methanone
CID 99795644
(2-methylpyrrolidin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 110728179
(5-bromo-2-methylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 65308017
(5-amino-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 60974941
(2-bromo-5-fluoro-4-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 172914000
2-bromo-4-fluoro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 65373226
2-chloro-5,6-difluoro-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 65388382
6-azaspiro[2.5]octan-6-yl-(2-bromo-5-fluoro-4-methylphenyl)methanone
CID 172913990

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-fluoro-4-methylphenyl)-(2-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-bromo-5-fluoro-4-methylphenyl)-(2-methylpyrrolidin-1-yl)methanone (CID 172913966) is (2-bromo-5-fluoro-4-methylphenyl)-(2-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-bromo-5-fluoro-4-methylphenyl)-(2-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-bromo-5-fluoro-4-methylphenyl)-(2-methylpyrrolidin-1-yl)methanone is Cc1cc(Br)c(C(=O)N2CCCC2C)cc1F.
What is the InChIKey of (2-bromo-5-fluoro-4-methylphenyl)-(2-methylpyrrolidin-1-yl)methanone?
The InChIKey is ARNLSEWPKLMBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO/c1-8-6-11(14)10(7-12(8)15)13(17)16-5-3-4-9(16)2/h6-7,9H,3-5H2,1-2H3.
What are the key properties of (2-bromo-5-fluoro-4-methylphenyl)-(2-methylpyrrolidin-1-yl)methanone?
(2-bromo-5-fluoro-4-methylphenyl)-(2-methylpyrrolidin-1-yl)methanone has a molecular weight of 300.17 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-fluoro-4-methylphenyl)-(2-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 172913966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).