1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid

C14H11BrF2N2O3 — CID 119259214

IUPAC1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
SMILESO=C(c1cc2c(F)cc(Br)cc2[nH]1)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C14H11BrF2N2O3/c15-7-3-9(16)8-5-11(18-10(8)4-7)12(20)19-2-1-14(17,6-19)13(21)22/h3-5,18H,1-2,6H2,(H,21,22)
InChIKeyVTRBLGQZLXYBCC-UHFFFAOYSA-N
MW373.15 g/mol
LogP2.71
Rot. Bonds2

About 1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid

1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid (PubChem CID 119259214) has the molecular formula C14H11BrF2N2O3 and a molecular weight of 373.15 g/mol. Its IUPAC name is 1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
PubChem CID119259214
Molecular FormulaC14H11BrF2N2O3
Molecular Weight373.15 g/mol
Exact Mass371.99
IUPAC Name1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
SMILESO=C(c1cc2c(F)cc(Br)cc2[nH]1)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C14H11BrF2N2O3/c15-7-3-9(16)8-5-11(18-10(8)4-7)12(20)19-2-1-14(17,6-19)13(21)22/h3-5,18H,1-2,6H2,(H,21,22)
InChIKeyVTRBLGQZLXYBCC-UHFFFAOYSA-N
XLogP2.71
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.15
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)-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

(6-bromo-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone
CID 10860228
6-bromo-N-cyclooctyl-1H-indole-2-carboxamide
CID 122650238
6-bromo-1H-indole-2-carboxamide
CID 4777757
2-amino-3-[(4-bromo-3-propyl-1H-indole-2-carbonyl)amino]propanoic acid
CID 44232686
2-amino-3-[(4-bromo-1H-indole-2-carbonyl)amino]propanoic acid
CID 44232936
(R)-2-Amino-3-(4-bromo-1H-indole-2-carboxamido)propanoic acid
CID 44233916
2-Amino-3-[(4-bromo-1-methylindole-2-carbonyl)amino]propanoic acid
CID 44232688
6-bromo-N-cycloheptyl-1H-indole-2-carboxamide
CID 84474353
[2-(6-bromo-1H-indole-2-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]-(4-fluorophenyl)methanone
CID 121410138
[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-(5-bromo-6,7-difluoro-1H-indol-2-yl)methanone
CID 139371754
US10689345, Example 229
CID 122598153
4-(6-bromo-1H-indole-2-carbonyl)piperazin-2-one
CID 45807793

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid (CID 119259214) is 1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid is O=C(c1cc2c(F)cc(Br)cc2[nH]1)N1CCC(F)(C(=O)O)C1.
What is the InChIKey of 1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid?
The InChIKey is VTRBLGQZLXYBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2N2O3/c15-7-3-9(16)8-5-11(18-10(8)4-7)12(20)19-2-1-14(17,6-19)13(21)22/h3-5,18H,1-2,6H2,(H,21,22).
What are the key properties of 1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid?
1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid has a molecular weight of 373.15 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119259214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).