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

C20H27ClN2O — CID 110497686

IUPAC5-chloro-N-cyclooctyl-1-ethyl-3-methylindole-2-carboxamide
SMILESCCn1c(C(=O)NC2CCCCCCC2)c(C)c2cc(Cl)ccc21
InChIInChI=1S/C20H27ClN2O/c1-3-23-18-12-11-15(21)13-17(18)14(2)19(23)20(24)22-16-9-7-5-4-6-8-10-16/h11-13,16H,3-10H2,1-2H3,(H,22,24)
InChIKeyMPGFDRXTYZEENT-UHFFFAOYSA-N
MW346.90 g/mol
LogP5.47
Rot. Bonds3

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

5-chloro-N-cyclooctyl-1-ethyl-3-methylindole-2-carboxamide (PubChem CID 110497686) has the molecular formula C20H27ClN2O and a molecular weight of 346.90 g/mol. Its IUPAC name is 5-chloro-N-cyclooctyl-1-ethyl-3-methylindole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-cyclooctyl-1-ethyl-3-methylindole-2-carboxamide
PubChem CID110497686
Molecular FormulaC20H27ClN2O
Molecular Weight346.90 g/mol
Exact Mass346.18
IUPAC Name5-chloro-N-cyclooctyl-1-ethyl-3-methylindole-2-carboxamide
SMILESCCn1c(C(=O)NC2CCCCCCC2)c(C)c2cc(Cl)ccc21
InChIInChI=1S/C20H27ClN2O/c1-3-23-18-12-11-15(21)13-17(18)14(2)19(23)20(24)22-16-9-7-5-4-6-8-10-16/h11-13,16H,3-10H2,1-2H3,(H,22,24)
InChIKeyMPGFDRXTYZEENT-UHFFFAOYSA-N
XLogP5.47
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.90
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-1-ethyl-3-methylindole-2-carboxamide
CID 110497379
5-chloro-1-ethyl-N-hexyl-3-methylindole-2-carboxamide
CID 110497680
5-chloro-1-ethyl-3-methyl-N-(4-methylpiperazin-1-yl)indole-2-carboxamide
CID 110497753
(5-chloro-1-ethyl-3-methylindol-2-yl)-(2-ethylpiperidin-1-yl)methanone
CID 110498961
5-chloro-1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide
CID 110502197
5-chloro-N-[2-(cyclohexen-1-yl)ethyl]-1-ethyl-3-methylindole-2-carboxamide
CID 110497737
6-chloro-N-cycloheptyl-1-ethyl-4-oxoquinoline-3-carboxamide
CID 30132192
5-chloro-N-[4-(diethylamino)butyl]-1-ethyl-3-methylindole-2-carboxamide
CID 110497733
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-N-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethyl-3-methylindole-2-carboxamide
CID 110502078
5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-1-ethyl-3-methylindole-2-carboxamide
CID 110497706

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclooctyl-1-ethyl-3-methylindole-2-carboxamide?
The IUPAC name of 5-chloro-N-cyclooctyl-1-ethyl-3-methylindole-2-carboxamide (CID 110497686) is 5-chloro-N-cyclooctyl-1-ethyl-3-methylindole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-cyclooctyl-1-ethyl-3-methylindole-2-carboxamide?
The canonical SMILES for 5-chloro-N-cyclooctyl-1-ethyl-3-methylindole-2-carboxamide is CCn1c(C(=O)NC2CCCCCCC2)c(C)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-N-cyclooctyl-1-ethyl-3-methylindole-2-carboxamide?
The InChIKey is MPGFDRXTYZEENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O/c1-3-23-18-12-11-15(21)13-17(18)14(2)19(23)20(24)22-16-9-7-5-4-6-8-10-16/h11-13,16H,3-10H2,1-2H3,(H,22,24).
What are the key properties of 5-chloro-N-cyclooctyl-1-ethyl-3-methylindole-2-carboxamide?
5-chloro-N-cyclooctyl-1-ethyl-3-methylindole-2-carboxamide has a molecular weight of 346.90 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclooctyl-1-ethyl-3-methylindole-2-carboxamide is sourced from PubChem (CID 110497686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).