3-chloro-5-ethoxy-4-hydroxy-N-(3-indol-1-ylpropyl)benzamide

C20H21ClN2O3 — CID 112768654

IUPAC3-chloro-5-ethoxy-4-hydroxy-N-(3-indol-1-ylpropyl)benzamide
SMILESCCOc1cc(C(=O)NCCCn2ccc3ccccc32)cc(Cl)c1O
InChIInChI=1S/C20H21ClN2O3/c1-2-26-18-13-15(12-16(21)19(18)24)20(25)22-9-5-10-23-11-8-14-6-3-4-7-17(14)23/h3-4,6-8,11-13,24H,2,5,9-10H2,1H3,(H,22,25)
InChIKeyAEYLGXYAWFMPQW-UHFFFAOYSA-N
MW372.85 g/mol
LogP4.22
Rot. Bonds7

About 3-chloro-5-ethoxy-4-hydroxy-N-(3-indol-1-ylpropyl)benzamide

3-chloro-5-ethoxy-4-hydroxy-N-(3-indol-1-ylpropyl)benzamide (PubChem CID 112768654) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is 3-chloro-5-ethoxy-4-hydroxy-N-(3-indol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-chloro-5-ethoxy-4-hydroxy-N-(3-indol-1-ylpropyl)benzamide
PubChem CID112768654
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name3-chloro-5-ethoxy-4-hydroxy-N-(3-indol-1-ylpropyl)benzamide
SMILESCCOc1cc(C(=O)NCCCn2ccc3ccccc32)cc(Cl)c1O
InChIInChI=1S/C20H21ClN2O3/c1-2-26-18-13-15(12-16(21)19(18)24)20(25)22-9-5-10-23-11-8-14-6-3-4-7-17(14)23/h3-4,6-8,11-13,24H,2,5,9-10H2,1H3,(H,22,25)
InChIKeyAEYLGXYAWFMPQW-UHFFFAOYSA-N
XLogP4.22
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-indol-1-ylpropyl)-3,5-dimethoxy-4-methylbenzamide
CID 25343089
4-hydroxy-N-(8-indol-1-yloctyl)-3,5-diiodobenzamide
CID 22237561
7-chloro-N-(3-indol-1-ylpropyl)-1,3-benzodioxole-5-carboxamide
CID 24554019
3-ethoxy-N-(2-indol-1-ylethyl)benzamide
CID 108726430
2,4-dichloro-N-(3-indol-1-ylpropyl)benzamide
CID 25355760
6-(dimethylamino)-N-(3-indol-1-ylpropyl)pyridine-3-carboxamide
CID 71942372
6-ethoxy-N-(3-indol-1-ylpropyl)-1H-indole-2-carboxamide
CID 52670551
N-(3-indol-1-ylpropyl)-2-methylsulfanylpyridine-4-carboxamide
CID 60567233
N-(3-indol-1-ylpropyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 55437340
N-(3-indol-1-ylpropyl)-1-methylpyrrole-2-carboxamide
CID 78799397
4-ethoxy-N-[1-(3-indol-1-ylpropylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 42910684
4-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide
CID 2489290

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-ethoxy-4-hydroxy-N-(3-indol-1-ylpropyl)benzamide?
The IUPAC name of 3-chloro-5-ethoxy-4-hydroxy-N-(3-indol-1-ylpropyl)benzamide (CID 112768654) is 3-chloro-5-ethoxy-4-hydroxy-N-(3-indol-1-ylpropyl)benzamide.
What is the SMILES notation for 3-chloro-5-ethoxy-4-hydroxy-N-(3-indol-1-ylpropyl)benzamide?
The canonical SMILES for 3-chloro-5-ethoxy-4-hydroxy-N-(3-indol-1-ylpropyl)benzamide is CCOc1cc(C(=O)NCCCn2ccc3ccccc32)cc(Cl)c1O.
What is the InChIKey of 3-chloro-5-ethoxy-4-hydroxy-N-(3-indol-1-ylpropyl)benzamide?
The InChIKey is AEYLGXYAWFMPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-2-26-18-13-15(12-16(21)19(18)24)20(25)22-9-5-10-23-11-8-14-6-3-4-7-17(14)23/h3-4,6-8,11-13,24H,2,5,9-10H2,1H3,(H,22,25).
What are the key properties of 3-chloro-5-ethoxy-4-hydroxy-N-(3-indol-1-ylpropyl)benzamide?
3-chloro-5-ethoxy-4-hydroxy-N-(3-indol-1-ylpropyl)benzamide has a molecular weight of 372.85 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-ethoxy-4-hydroxy-N-(3-indol-1-ylpropyl)benzamide is sourced from PubChem (CID 112768654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).