6-bromo-1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydroindole-4-carboxylic acid

C24H18BrNO4 — CID 155970936

IUPAC6-bromo-1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydroindole-4-carboxylic acid
SMILESO=C(O)c1cc(Br)cc2c1CCN2C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H18BrNO4/c25-14-11-20(23(27)28)19-9-10-26(22(19)12-14)24(29)30-13-21-17-7-3-1-5-15(17)16-6-2-4-8-18(16)21/h1-8,11-12,21H,9-10,13H2,(H,27,28)
InChIKeyHMSAXASTQRFGAZ-UHFFFAOYSA-N
MW464.32 g/mol
LogP5.46
Rot. Bonds3

About 6-bromo-1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydroindole-4-carboxylic acid

6-bromo-1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydroindole-4-carboxylic acid (PubChem CID 155970936) has the molecular formula C24H18BrNO4 and a molecular weight of 464.32 g/mol. Its IUPAC name is 6-bromo-1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydroindole-4-carboxylic acid.

Molecular Properties

Compound Name6-bromo-1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydroindole-4-carboxylic acid
PubChem CID155970936
Molecular FormulaC24H18BrNO4
Molecular Weight464.32 g/mol
Exact Mass463.04
IUPAC Name6-bromo-1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydroindole-4-carboxylic acid
SMILESO=C(O)c1cc(Br)cc2c1CCN2C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H18BrNO4/c25-14-11-20(23(27)28)19-9-10-26(22(19)12-14)24(29)30-13-21-17-7-3-1-5-15(17)16-6-2-4-8-18(16)21/h1-8,11-12,21H,9-10,13H2,(H,27,28)
InChIKeyHMSAXASTQRFGAZ-UHFFFAOYSA-N
XLogP5.46
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.32
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-bromo-1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydroindole-4-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

1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 63404851
5-bromo-2-[1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-3-yl]oxybenzoic acid
CID 170920554
5-bromo-2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid
CID 10873832
9H-fluoren-9-ylmethyl 6-amino-2,3-dihydro-1,4-benzoxazine-4-carboxylate
CID 177172610
9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate
CID 63310303
9H-fluoren-9-ylmethyl 3-aminopyrrolidine-1-carboxylate
CID 2756439
9H-fluoren-9-ylmethyl 4-benzylpiperidine-1-carboxylate
CID 102221470
3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]-3,3-difluoropropanoic acid
CID 167724441
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608
9H-fluoren-9-ylmethyl 4-carbonochloridoylpiperidine-1-carboxylate
CID 86647451
[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methylazanium
CID 7010657
9H-fluoren-9-ylmethyl 4-cyanopiperidine-1-carboxylate
CID 2757965

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydroindole-4-carboxylic acid?
The IUPAC name of 6-bromo-1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydroindole-4-carboxylic acid (CID 155970936) is 6-bromo-1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydroindole-4-carboxylic acid.
What is the SMILES notation for 6-bromo-1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydroindole-4-carboxylic acid?
The canonical SMILES for 6-bromo-1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydroindole-4-carboxylic acid is O=C(O)c1cc(Br)cc2c1CCN2C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 6-bromo-1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydroindole-4-carboxylic acid?
The InChIKey is HMSAXASTQRFGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrNO4/c25-14-11-20(23(27)28)19-9-10-26(22(19)12-14)24(29)30-13-21-17-7-3-1-5-15(17)16-6-2-4-8-18(16)21/h1-8,11-12,21H,9-10,13H2,(H,27,28).
What are the key properties of 6-bromo-1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydroindole-4-carboxylic acid?
6-bromo-1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydroindole-4-carboxylic acid has a molecular weight of 464.32 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydroindole-4-carboxylic acid is sourced from PubChem (CID 155970936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).