ethyl 4-(3-bromocarbazol-9-yl)benzoate

C21H16BrNO2 — CID 141478320

IUPACethyl 4-(3-bromocarbazol-9-yl)benzoate
SMILESCCOC(=O)c1ccc(-n2c3ccccc3c3cc(Br)ccc32)cc1
InChIInChI=1S/C21H16BrNO2/c1-2-25-21(24)14-7-10-16(11-8-14)23-19-6-4-3-5-17(19)18-13-15(22)9-12-20(18)23/h3-13H,2H2,1H3
InChIKeyCFDDEWOQWSYGMV-UHFFFAOYSA-N
MW394.27 g/mol
LogP5.72
Rot. Bonds3

About ethyl 4-(3-bromocarbazol-9-yl)benzoate

ethyl 4-(3-bromocarbazol-9-yl)benzoate (PubChem CID 141478320) has the molecular formula C21H16BrNO2 and a molecular weight of 394.27 g/mol. Its IUPAC name is ethyl 4-(3-bromocarbazol-9-yl)benzoate.

Molecular Properties

Compound Nameethyl 4-(3-bromocarbazol-9-yl)benzoate
PubChem CID141478320
Molecular FormulaC21H16BrNO2
Molecular Weight394.27 g/mol
Exact Mass393.04
IUPAC Nameethyl 4-(3-bromocarbazol-9-yl)benzoate
SMILESCCOC(=O)c1ccc(-n2c3ccccc3c3cc(Br)ccc32)cc1
InChIInChI=1S/C21H16BrNO2/c1-2-25-21(24)14-7-10-16(11-8-14)23-19-6-4-3-5-17(19)18-13-15(22)9-12-20(18)23/h3-13H,2H2,1H3
InChIKeyCFDDEWOQWSYGMV-UHFFFAOYSA-N
XLogP5.72
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.27
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 4-(3-bromocarbazol-9-yl)benzoate 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

Indocate
CID 65776
Ethyl 5-Bromoindole-2-carboxylate
CID 259091
3-(dimethylamino)propyl 1-benzyl-2,3-dimethyl-1H-indole-5-carboxylate
CID 1736240
3-[5-(4-Bromophenyl)-1-[4-(ethoxycarbonyl)phenyl]-1H-pyrrol-2-YL]propanoic acid
CID 15991276
ethyl 5-bromo-3-(1-phenylcyclopropyl)-1H-indole-2-carboxylate
CID 70694871
Methyl 1-methyl-2,3-diphenylindole-5-carboxylate
CID 16059985
Butyl 6-bromo-2-phenyl-4-quinolinecarboxylate
CID 1929937
2-(2-Methylindol-1-yl)ethyl 4-(diethylamino)benzoate
CID 90680611
6-Bromo-2-methyl-quinoline-4-carboxylic acid butyl ester
CID 3114261
Methyl 1-methyl-2-phenyl-3-(2-phenylethynyl)indole-5-carboxylate
CID 16059984
benzyl 9H-carbazole-3-carboxylate
CID 49799644
Ethyl 5-bromo-3-methyl-1H-indole-2-carboxylate
CID 616662

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-bromocarbazol-9-yl)benzoate?
The IUPAC name of ethyl 4-(3-bromocarbazol-9-yl)benzoate (CID 141478320) is ethyl 4-(3-bromocarbazol-9-yl)benzoate.
What is the SMILES notation for ethyl 4-(3-bromocarbazol-9-yl)benzoate?
The canonical SMILES for ethyl 4-(3-bromocarbazol-9-yl)benzoate is CCOC(=O)c1ccc(-n2c3ccccc3c3cc(Br)ccc32)cc1.
What is the InChIKey of ethyl 4-(3-bromocarbazol-9-yl)benzoate?
The InChIKey is CFDDEWOQWSYGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrNO2/c1-2-25-21(24)14-7-10-16(11-8-14)23-19-6-4-3-5-17(19)18-13-15(22)9-12-20(18)23/h3-13H,2H2,1H3.
What are the key properties of ethyl 4-(3-bromocarbazol-9-yl)benzoate?
ethyl 4-(3-bromocarbazol-9-yl)benzoate has a molecular weight of 394.27 g/mol, XLogP of 5.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-bromocarbazol-9-yl)benzoate is sourced from PubChem (CID 141478320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).