1-[2-(4-bromophenyl)propanoyl]-3-fluoropyrrolidine-3-carboxylic acid

C14H15BrFNO3 — CID 120529678

IUPAC1-[2-(4-bromophenyl)propanoyl]-3-fluoropyrrolidine-3-carboxylic acid
SMILESCC(C(=O)N1CCC(F)(C(=O)O)C1)c1ccc(Br)cc1
InChIInChI=1S/C14H15BrFNO3/c1-9(10-2-4-11(15)5-3-10)12(18)17-7-6-14(16,8-17)13(19)20/h2-5,9H,6-8H2,1H3,(H,19,20)
InChIKeyMFLJSWFKACQRAF-UHFFFAOYSA-N
MW344.18 g/mol
LogP2.58
Rot. Bonds3

About 1-[2-(4-bromophenyl)propanoyl]-3-fluoropyrrolidine-3-carboxylic acid

1-[2-(4-bromophenyl)propanoyl]-3-fluoropyrrolidine-3-carboxylic acid (PubChem CID 120529678) has the molecular formula C14H15BrFNO3 and a molecular weight of 344.18 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)propanoyl]-3-fluoropyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)propanoyl]-3-fluoropyrrolidine-3-carboxylic acid
PubChem CID120529678
Molecular FormulaC14H15BrFNO3
Molecular Weight344.18 g/mol
Exact Mass343.02
IUPAC Name1-[2-(4-bromophenyl)propanoyl]-3-fluoropyrrolidine-3-carboxylic acid
SMILESCC(C(=O)N1CCC(F)(C(=O)O)C1)c1ccc(Br)cc1
InChIInChI=1S/C14H15BrFNO3/c1-9(10-2-4-11(15)5-3-10)12(18)17-7-6-14(16,8-17)13(19)20/h2-5,9H,6-8H2,1H3,(H,19,20)
InChIKeyMFLJSWFKACQRAF-UHFFFAOYSA-N
XLogP2.58
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.18
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(4-bromophenyl)propanoyl]-3-fluoropyrrolidine-3-carboxylic acid 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-fluoro-1-[2-(3-fluorophenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 119259491
1-[1-(4-bromophenyl)cyclobutanecarbonyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119258301
1-[2-(2-bromo-4-methylphenoxy)propanoyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119258730
1-[2-(2-chlorophenyl)sulfanylpropanoyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119258110
3-fluoro-1-(2-phenyl-2-phenylsulfanylacetyl)pyrrolidine-3-carboxylic acid
CID 119258661
(2R)-2-(4-bromophenyl)-1-[4-(dimethylamino)piperidin-1-yl]propan-1-one
CID 124567680
1-[1-(4-bromophenyl)pyrazole-4-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119258108
3-fluoro-1-[2-methyl-3-[3-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-3-carboxylic acid
CID 119258373
(3S)-1-[2-(4-bromophenyl)propanoyl]piperidine-3-carboxylic acid
CID 120514149
1-[2-(2,4-dichlorophenoxy)propanoyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119258259
1-[2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119259088
1-[2-(2-chloro-4-fluorophenoxy)propanoyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119259294

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)propanoyl]-3-fluoropyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(4-bromophenyl)propanoyl]-3-fluoropyrrolidine-3-carboxylic acid (CID 120529678) is 1-[2-(4-bromophenyl)propanoyl]-3-fluoropyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-bromophenyl)propanoyl]-3-fluoropyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-bromophenyl)propanoyl]-3-fluoropyrrolidine-3-carboxylic acid is CC(C(=O)N1CCC(F)(C(=O)O)C1)c1ccc(Br)cc1.
What is the InChIKey of 1-[2-(4-bromophenyl)propanoyl]-3-fluoropyrrolidine-3-carboxylic acid?
The InChIKey is MFLJSWFKACQRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNO3/c1-9(10-2-4-11(15)5-3-10)12(18)17-7-6-14(16,8-17)13(19)20/h2-5,9H,6-8H2,1H3,(H,19,20).
What are the key properties of 1-[2-(4-bromophenyl)propanoyl]-3-fluoropyrrolidine-3-carboxylic acid?
1-[2-(4-bromophenyl)propanoyl]-3-fluoropyrrolidine-3-carboxylic acid has a molecular weight of 344.18 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)propanoyl]-3-fluoropyrrolidine-3-carboxylic acid is sourced from PubChem (CID 120529678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).