5-chloro-1-ethyl-N-hexyl-3-methylindole-2-carboxamide

C18H25ClN2O — CID 110497680

IUPAC5-chloro-1-ethyl-N-hexyl-3-methylindole-2-carboxamide
SMILESCCCCCCNC(=O)c1c(C)c2cc(Cl)ccc2n1CC
InChIInChI=1S/C18H25ClN2O/c1-4-6-7-8-11-20-18(22)17-13(3)15-12-14(19)9-10-16(15)21(17)5-2/h9-10,12H,4-8,11H2,1-3H3,(H,20,22)
InChIKeyQBKYGCHQXHICMY-UHFFFAOYSA-N
MW320.86 g/mol
LogP4.93
Rot. Bonds7

About 5-chloro-1-ethyl-N-hexyl-3-methylindole-2-carboxamide

5-chloro-1-ethyl-N-hexyl-3-methylindole-2-carboxamide (PubChem CID 110497680) has the molecular formula C18H25ClN2O and a molecular weight of 320.86 g/mol. Its IUPAC name is 5-chloro-1-ethyl-N-hexyl-3-methylindole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-1-ethyl-N-hexyl-3-methylindole-2-carboxamide
PubChem CID110497680
Molecular FormulaC18H25ClN2O
Molecular Weight320.86 g/mol
Exact Mass320.17
IUPAC Name5-chloro-1-ethyl-N-hexyl-3-methylindole-2-carboxamide
SMILESCCCCCCNC(=O)c1c(C)c2cc(Cl)ccc2n1CC
InChIInChI=1S/C18H25ClN2O/c1-4-6-7-8-11-20-18(22)17-13(3)15-12-14(19)9-10-16(15)21(17)5-2/h9-10,12H,4-8,11H2,1-3H3,(H,20,22)
InChIKeyQBKYGCHQXHICMY-UHFFFAOYSA-N
XLogP4.93
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.86
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[4-(diethylamino)butyl]-1-ethyl-3-methylindole-2-carboxamide
CID 110497733
5-chloro-N-(3-ethoxypropyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110497715
5-chloro-1-ethyl-3-methyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 110497698
5-chloro-N-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110502070
5-chloro-N-[2-(cyclohexen-1-yl)ethyl]-1-ethyl-3-methylindole-2-carboxamide
CID 110497737
5-chloro-N-cyclooctyl-1-ethyl-3-methylindole-2-carboxamide
CID 110497686
5-chloro-N-(3-chloro-4-methylphenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110502138
2-[(5-chloro-1-ethyl-3-methylindole-2-carbonyl)amino]pentanoic acid
CID 110497722
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
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-1-ethyl-N-hexyl-3-methylindole-2-carboxamide?
The IUPAC name of 5-chloro-1-ethyl-N-hexyl-3-methylindole-2-carboxamide (CID 110497680) is 5-chloro-1-ethyl-N-hexyl-3-methylindole-2-carboxamide.
What is the SMILES notation for 5-chloro-1-ethyl-N-hexyl-3-methylindole-2-carboxamide?
The canonical SMILES for 5-chloro-1-ethyl-N-hexyl-3-methylindole-2-carboxamide is CCCCCCNC(=O)c1c(C)c2cc(Cl)ccc2n1CC.
What is the InChIKey of 5-chloro-1-ethyl-N-hexyl-3-methylindole-2-carboxamide?
The InChIKey is QBKYGCHQXHICMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O/c1-4-6-7-8-11-20-18(22)17-13(3)15-12-14(19)9-10-16(15)21(17)5-2/h9-10,12H,4-8,11H2,1-3H3,(H,20,22).
What are the key properties of 5-chloro-1-ethyl-N-hexyl-3-methylindole-2-carboxamide?
5-chloro-1-ethyl-N-hexyl-3-methylindole-2-carboxamide has a molecular weight of 320.86 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-ethyl-N-hexyl-3-methylindole-2-carboxamide is sourced from PubChem (CID 110497680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).