9-(4-chlorobenzoyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid

C20H16ClNO3 — CID 11382641

IUPAC9-(4-chlorobenzoyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)c1c(n2C(=O)c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C20H16ClNO3/c21-14-8-5-12(6-9-14)19(23)22-17-4-2-1-3-15(17)16-11-13(20(24)25)7-10-18(16)22/h5-11H,1-4H2,(H,24,25)
InChIKeyGHFOXHAZUGKUCN-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.56
Rot. Bonds2

About 9-(4-chlorobenzoyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid

9-(4-chlorobenzoyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid (PubChem CID 11382641) has the molecular formula C20H16ClNO3 and a molecular weight of 353.81 g/mol. Its IUPAC name is 9-(4-chlorobenzoyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid.

Molecular Properties

Compound Name9-(4-chlorobenzoyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
PubChem CID11382641
Molecular FormulaC20H16ClNO3
Molecular Weight353.81 g/mol
Exact Mass353.08
IUPAC Name9-(4-chlorobenzoyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)c1c(n2C(=O)c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C20H16ClNO3/c21-14-8-5-12(6-9-14)19(23)22-17-4-2-1-3-15(17)16-11-13(20(24)25)7-10-18(16)22/h5-11H,1-4H2,(H,24,25)
InChIKeyGHFOXHAZUGKUCN-UHFFFAOYSA-N
XLogP4.56
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-(4-chlorobenzoyl)-5,6,7,8-tetrahydrocarbazole-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

1-(4-Chlorobenzoyl)-5-hydroxy-2-methyl-1H-indole-3-acetic acid
CID 159665
2,3,4,9-tetrahydro-1H-carbazole-6-carboxylic acid
CID 729801
1-benzyl-2,3-dimethyl-1H-indole-5-carboxylic acid
CID 563822
2-(4-Chloro-phenyl)-3-cyclohexyl-1-dimethylcarbamoylmethyl-1H-indole-6-carboxylic acid
CID 5275447
9-(4-Chlorobenzoyl)-6-methoxy-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid
CID 21548774
1-{3-[5-Acetyl-2-(4-Chlorophenyl)-1-Methyl-1H-Indol-3-yl]-1-Oxopropyl}-4-(Phenylmethyl)-4-Piperidinol
CID 44274166
1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-2-methyl-
CID 9945282
Delmetacin
CID 27860
2-Chloro-1-phenyl-1H-indole-3-carboxylic acid
CID 99524
1-(4-Chlorobenzyl)-1H-indole-2-carboxylic acid
CID 22310899
1,2,3-Trimethyl-1H-indole-5-carboxylic acid
CID 609042
1-Benzyl-5-Chloro-3-(2-Fluorophenyl)-1h-Indole-2-Carboxylic Acid
CID 53346503

Frequently Asked Questions

What is the IUPAC name of 9-(4-chlorobenzoyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid?
The IUPAC name of 9-(4-chlorobenzoyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid (CID 11382641) is 9-(4-chlorobenzoyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid.
What is the SMILES notation for 9-(4-chlorobenzoyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid?
The canonical SMILES for 9-(4-chlorobenzoyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid is O=C(O)c1ccc2c(c1)c1c(n2C(=O)c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 9-(4-chlorobenzoyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid?
The InChIKey is GHFOXHAZUGKUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO3/c21-14-8-5-12(6-9-14)19(23)22-17-4-2-1-3-15(17)16-11-13(20(24)25)7-10-18(16)22/h5-11H,1-4H2,(H,24,25).
What are the key properties of 9-(4-chlorobenzoyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid?
9-(4-chlorobenzoyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid has a molecular weight of 353.81 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-chlorobenzoyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid is sourced from PubChem (CID 11382641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).