5-chloro-N-[2-(cyclohexen-1-yl)ethyl]-1-ethyl-3-methylindole-2-carboxamide

C20H25ClN2O — CID 110497737

IUPAC5-chloro-N-[2-(cyclohexen-1-yl)ethyl]-1-ethyl-3-methylindole-2-carboxamide
SMILESCCn1c(C(=O)NCCC2=CCCCC2)c(C)c2cc(Cl)ccc21
InChIInChI=1S/C20H25ClN2O/c1-3-23-18-10-9-16(21)13-17(18)14(2)19(23)20(24)22-12-11-15-7-5-4-6-8-15/h7,9-10,13H,3-6,8,11-12H2,1-2H3,(H,22,24)
InChIKeyQWPTZVRWHMKIGQ-UHFFFAOYSA-N
MW344.89 g/mol
LogP5.24
Rot. Bonds5

About 5-chloro-N-[2-(cyclohexen-1-yl)ethyl]-1-ethyl-3-methylindole-2-carboxamide

5-chloro-N-[2-(cyclohexen-1-yl)ethyl]-1-ethyl-3-methylindole-2-carboxamide (PubChem CID 110497737) has the molecular formula C20H25ClN2O and a molecular weight of 344.89 g/mol. Its IUPAC name is 5-chloro-N-[2-(cyclohexen-1-yl)ethyl]-1-ethyl-3-methylindole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(cyclohexen-1-yl)ethyl]-1-ethyl-3-methylindole-2-carboxamide
PubChem CID110497737
Molecular FormulaC20H25ClN2O
Molecular Weight344.89 g/mol
Exact Mass344.17
IUPAC Name5-chloro-N-[2-(cyclohexen-1-yl)ethyl]-1-ethyl-3-methylindole-2-carboxamide
SMILESCCn1c(C(=O)NCCC2=CCCCC2)c(C)c2cc(Cl)ccc21
InChIInChI=1S/C20H25ClN2O/c1-3-23-18-10-9-16(21)13-17(18)14(2)19(23)20(24)22-12-11-15-7-5-4-6-8-15/h7,9-10,13H,3-6,8,11-12H2,1-2H3,(H,22,24)
InChIKeyQWPTZVRWHMKIGQ-UHFFFAOYSA-N
XLogP5.24
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.89
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-1,5-diethyl-3-methylindole-2-carboxamide
CID 110497534
5-chloro-1-ethyl-N-hexyl-3-methylindole-2-carboxamide
CID 110497680
5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-1-ethyl-3-methylindole-2-carboxamide
CID 110497706
1-acetyl-5-chloro-N-[2-(cyclohexen-1-yl)ethyl]indole-3-carboxamide
CID 113212529
5-chloro-N-cyclooctyl-1-ethyl-3-methylindole-2-carboxamide
CID 110497686
2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835962
5-chloro-1-ethyl-3-methyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 110497698
6-[(4-chlorophenyl)methylamino]-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109364541
2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 20877446
2-[(5-chloro-1-ethyl-3-methylindole-2-carbonyl)amino]pentanoic acid
CID 110497722
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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(cyclohexen-1-yl)ethyl]-1-ethyl-3-methylindole-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(cyclohexen-1-yl)ethyl]-1-ethyl-3-methylindole-2-carboxamide (CID 110497737) is 5-chloro-N-[2-(cyclohexen-1-yl)ethyl]-1-ethyl-3-methylindole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(cyclohexen-1-yl)ethyl]-1-ethyl-3-methylindole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(cyclohexen-1-yl)ethyl]-1-ethyl-3-methylindole-2-carboxamide is CCn1c(C(=O)NCCC2=CCCCC2)c(C)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-N-[2-(cyclohexen-1-yl)ethyl]-1-ethyl-3-methylindole-2-carboxamide?
The InChIKey is QWPTZVRWHMKIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O/c1-3-23-18-10-9-16(21)13-17(18)14(2)19(23)20(24)22-12-11-15-7-5-4-6-8-15/h7,9-10,13H,3-6,8,11-12H2,1-2H3,(H,22,24).
What are the key properties of 5-chloro-N-[2-(cyclohexen-1-yl)ethyl]-1-ethyl-3-methylindole-2-carboxamide?
5-chloro-N-[2-(cyclohexen-1-yl)ethyl]-1-ethyl-3-methylindole-2-carboxamide has a molecular weight of 344.89 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(cyclohexen-1-yl)ethyl]-1-ethyl-3-methylindole-2-carboxamide is sourced from PubChem (CID 110497737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).