5-chloro-3-[2-(cyclohexylamino)-2-oxoethyl]-1H-indole-2-carboxylate

C17H18ClN2O3- — CID 3293452

IUPAC5-chloro-3-[2-(cyclohexylamino)-2-oxoethyl]-1H-indole-2-carboxylate
SMILESO=C(Cc1c(C(=O)[O-])[nH]c2ccc(Cl)cc12)NC1CCCCC1
InChIInChI=1S/C17H19ClN2O3/c18-10-6-7-14-12(8-10)13(16(20-14)17(22)23)9-15(21)19-11-4-2-1-3-5-11/h6-8,11,20H,1-5,9H2,(H,19,21)(H,22,23)/p-1
InChIKeyHDXDWDJDDVCIAL-UHFFFAOYSA-M
MW333.80 g/mol
LogP2.18
Rot. Bonds4

About 5-chloro-3-[2-(cyclohexylamino)-2-oxoethyl]-1H-indole-2-carboxylate

5-chloro-3-[2-(cyclohexylamino)-2-oxoethyl]-1H-indole-2-carboxylate (PubChem CID 3293452) has the molecular formula C17H18ClN2O3- and a molecular weight of 333.80 g/mol. Its IUPAC name is 5-chloro-3-[2-(cyclohexylamino)-2-oxoethyl]-1H-indole-2-carboxylate.

Molecular Properties

Compound Name5-chloro-3-[2-(cyclohexylamino)-2-oxoethyl]-1H-indole-2-carboxylate
PubChem CID3293452
Molecular FormulaC17H18ClN2O3-
Molecular Weight333.80 g/mol
Exact Mass333.10
IUPAC Name5-chloro-3-[2-(cyclohexylamino)-2-oxoethyl]-1H-indole-2-carboxylate
SMILESO=C(Cc1c(C(=O)[O-])[nH]c2ccc(Cl)cc12)NC1CCCCC1
InChIInChI=1S/C17H19ClN2O3/c18-10-6-7-14-12(8-10)13(16(20-14)17(22)23)9-15(21)19-11-4-2-1-3-5-11/h6-8,11,20H,1-5,9H2,(H,19,21)(H,22,23)/p-1
InChIKeyHDXDWDJDDVCIAL-UHFFFAOYSA-M
XLogP2.18
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 5-chloro-3-[2-(cyclohexylamino)-2-oxoethyl]-1H-indole-2-carboxylate 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

2-(5-bromo-2-methyl-1H-indol-3-yl)-N-cycloheptylacetamide
CID 38702160
N-cyclohexyl-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212089
N-cyclohexyl-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide
CID 54678206
1-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3-cyclohexylthiourea
CID 43952994
2-(2-chloro-6-fluorophenyl)-N-cyclohexylacetamide
CID 974091
[2-(cycloheptylamino)-2-oxoethyl] 2,5-dichlorobenzoate
CID 4803859
5-chloro-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1H-indole-2-carboxylate
CID 6990063
ethyl 4-[(5-chloro-3-methyl-1H-indole-2-carbonyl)amino]piperidine-1-carboxylate
CID 113204728
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cycloheptylacetamide
CID 2086667
5-chloro-3-[2-(2,4-difluoroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 22431016
N-cyclohexyl-2-(3,4-dichlorophenyl)acetamide
CID 2557208
1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-cyclohexylpiperidine-3-carboxamide
CID 4874001

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[2-(cyclohexylamino)-2-oxoethyl]-1H-indole-2-carboxylate?
The IUPAC name of 5-chloro-3-[2-(cyclohexylamino)-2-oxoethyl]-1H-indole-2-carboxylate (CID 3293452) is 5-chloro-3-[2-(cyclohexylamino)-2-oxoethyl]-1H-indole-2-carboxylate.
What is the SMILES notation for 5-chloro-3-[2-(cyclohexylamino)-2-oxoethyl]-1H-indole-2-carboxylate?
The canonical SMILES for 5-chloro-3-[2-(cyclohexylamino)-2-oxoethyl]-1H-indole-2-carboxylate is O=C(Cc1c(C(=O)[O-])[nH]c2ccc(Cl)cc12)NC1CCCCC1.
What is the InChIKey of 5-chloro-3-[2-(cyclohexylamino)-2-oxoethyl]-1H-indole-2-carboxylate?
The InChIKey is HDXDWDJDDVCIAL-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H19ClN2O3/c18-10-6-7-14-12(8-10)13(16(20-14)17(22)23)9-15(21)19-11-4-2-1-3-5-11/h6-8,11,20H,1-5,9H2,(H,19,21)(H,22,23)/p-1.
What are the key properties of 5-chloro-3-[2-(cyclohexylamino)-2-oxoethyl]-1H-indole-2-carboxylate?
5-chloro-3-[2-(cyclohexylamino)-2-oxoethyl]-1H-indole-2-carboxylate has a molecular weight of 333.80 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[2-(cyclohexylamino)-2-oxoethyl]-1H-indole-2-carboxylate is sourced from PubChem (CID 3293452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).