5-chloro-N-(3-ethoxypropyl)-1-ethyl-3-methylindole-2-carboxamide

C17H23ClN2O2 — CID 110497715

IUPAC5-chloro-N-(3-ethoxypropyl)-1-ethyl-3-methylindole-2-carboxamide
SMILESCCOCCCNC(=O)c1c(C)c2cc(Cl)ccc2n1CC
InChIInChI=1S/C17H23ClN2O2/c1-4-20-15-8-7-13(18)11-14(15)12(3)16(20)17(21)19-9-6-10-22-5-2/h7-8,11H,4-6,9-10H2,1-3H3,(H,19,21)
InChIKeyFEWQSPINTSMTJB-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.78
Rot. Bonds7

About 5-chloro-N-(3-ethoxypropyl)-1-ethyl-3-methylindole-2-carboxamide

5-chloro-N-(3-ethoxypropyl)-1-ethyl-3-methylindole-2-carboxamide (PubChem CID 110497715) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 5-chloro-N-(3-ethoxypropyl)-1-ethyl-3-methylindole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-ethoxypropyl)-1-ethyl-3-methylindole-2-carboxamide
PubChem CID110497715
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name5-chloro-N-(3-ethoxypropyl)-1-ethyl-3-methylindole-2-carboxamide
SMILESCCOCCCNC(=O)c1c(C)c2cc(Cl)ccc2n1CC
InChIInChI=1S/C17H23ClN2O2/c1-4-20-15-8-7-13(18)11-14(15)12(3)16(20)17(21)19-9-6-10-22-5-2/h7-8,11H,4-6,9-10H2,1-3H3,(H,19,21)
InChIKeyFEWQSPINTSMTJB-UHFFFAOYSA-N
XLogP3.78
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-N-(3-ethoxypropyl)-1-ethyl-3-methylindole-2-carboxamide 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

5-chloro-1-ethyl-N-hexyl-3-methylindole-2-carboxamide
CID 110497680
5-chloro-N-[4-(diethylamino)butyl]-1-ethyl-3-methylindole-2-carboxamide
CID 110497733
5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-1-ethyl-3-methylindole-2-carboxamide
CID 110497706
5-chloro-N-cyclooctyl-1-ethyl-3-methylindole-2-carboxamide
CID 110497686
5-chloro-1-ethyl-3-methyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 110497698
5-chloro-N-[2-(cyclohexen-1-yl)ethyl]-1-ethyl-3-methylindole-2-carboxamide
CID 110497737
5-ethoxy-1-ethyl-3-methyl-N-(3-propan-2-yloxypropyl)indole-2-carboxamide
CID 110497818
5-chloro-1-ethyl-3-methyl-N-(4-methylpiperazin-1-yl)indole-2-carboxamide
CID 110497753
5-chloro-1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide
CID 110502197
2-[(5-chloro-1-ethyl-3-methylindole-2-carbonyl)amino]pentanoic acid
CID 110497722
5-chloro-1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide
CID 110502203
5-chloro-1-ethyl-N,N-bis(2-hydroxyethyl)-3-methylindole-2-carboxamide
CID 110498960

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-ethoxypropyl)-1-ethyl-3-methylindole-2-carboxamide?
The IUPAC name of 5-chloro-N-(3-ethoxypropyl)-1-ethyl-3-methylindole-2-carboxamide (CID 110497715) is 5-chloro-N-(3-ethoxypropyl)-1-ethyl-3-methylindole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-ethoxypropyl)-1-ethyl-3-methylindole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3-ethoxypropyl)-1-ethyl-3-methylindole-2-carboxamide is CCOCCCNC(=O)c1c(C)c2cc(Cl)ccc2n1CC.
What is the InChIKey of 5-chloro-N-(3-ethoxypropyl)-1-ethyl-3-methylindole-2-carboxamide?
The InChIKey is FEWQSPINTSMTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-4-20-15-8-7-13(18)11-14(15)12(3)16(20)17(21)19-9-6-10-22-5-2/h7-8,11H,4-6,9-10H2,1-3H3,(H,19,21).
What are the key properties of 5-chloro-N-(3-ethoxypropyl)-1-ethyl-3-methylindole-2-carboxamide?
5-chloro-N-(3-ethoxypropyl)-1-ethyl-3-methylindole-2-carboxamide has a molecular weight of 322.84 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-ethoxypropyl)-1-ethyl-3-methylindole-2-carboxamide is sourced from PubChem (CID 110497715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).