4-chloro-N-(2-cyclopentyl-2-methylpropyl)-1-(oxetan-3-yl)indole-3-carboxamide;ethane

C23H33ClN2O2 — CID 145106770

IUPAC4-chloro-N-(2-cyclopentyl-2-methylpropyl)-1-(oxetan-3-yl)indole-3-carboxamide;ethane
SMILESCC.CC(C)(CNC(=O)c1cn(C2COC2)c2cccc(Cl)c12)C1CCCC1
InChIInChI=1S/C21H27ClN2O2.C2H6/c1-21(2,14-6-3-4-7-14)13-23-20(25)16-10-24(15-11-26-12-15)18-9-5-8-17(22)19(16)18;1-2/h5,8-10,14-15H,3-4,6-7,11-13H2,1-2H3,(H,23,25);1-2H3
InChIKeyMCARMFSWXSCZQC-UHFFFAOYSA-N
MW404.98 g/mol
LogP5.84
Rot. Bonds5

About 4-chloro-N-(2-cyclopentyl-2-methylpropyl)-1-(oxetan-3-yl)indole-3-carboxamide;ethane

4-chloro-N-(2-cyclopentyl-2-methylpropyl)-1-(oxetan-3-yl)indole-3-carboxamide;ethane (PubChem CID 145106770) has the molecular formula C23H33ClN2O2 and a molecular weight of 404.98 g/mol. Its IUPAC name is 4-chloro-N-(2-cyclopentyl-2-methylpropyl)-1-(oxetan-3-yl)indole-3-carboxamide;ethane.

Molecular Properties

Compound Name4-chloro-N-(2-cyclopentyl-2-methylpropyl)-1-(oxetan-3-yl)indole-3-carboxamide;ethane
PubChem CID145106770
Molecular FormulaC23H33ClN2O2
Molecular Weight404.98 g/mol
Exact Mass404.22
IUPAC Name4-chloro-N-(2-cyclopentyl-2-methylpropyl)-1-(oxetan-3-yl)indole-3-carboxamide;ethane
SMILESCC.CC(C)(CNC(=O)c1cn(C2COC2)c2cccc(Cl)c12)C1CCCC1
InChIInChI=1S/C21H27ClN2O2.C2H6/c1-21(2,14-6-3-4-7-14)13-23-20(25)16-10-24(15-11-26-12-15)18-9-5-8-17(22)19(16)18;1-2/h5,8-10,14-15H,3-4,6-7,11-13H2,1-2H3,(H,23,25);1-2H3
InChIKeyMCARMFSWXSCZQC-UHFFFAOYSA-N
XLogP5.84
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.98
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2-cyclopentyl-2-hydroxypropyl)-1-(oxetan-3-yl)indole-3-carboxamide
CID 121406306
(4R)-bicyclo[2.2.1]hept-2-ene;4-chloro-N-ethyl-1-(oxetan-3-yl)indole-3-carboxamide
CID 145106793
4-chloro-N-[(3-methylcyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide
CID 145106800
4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide
CID 121407315
4-chloro-N-(cyclohexylmethyl)-1-(oxolan-3-yl)indole-3-carboxamide
CID 121393387
4-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide
CID 121393263
1-[4-chloro-1-(oxetan-3-yl)indol-3-yl]-2,2,2-trifluoroethanone
CID 121393520
N-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-chloro-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-(2-cyclopentyl-2-methylpropyl)-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-1-hydroxy-3,4-dimethylcyclohexyl)methyl]-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-1-hydroxy-4-methylcyclohexyl)methyl]-1-(oxolan-3-yl)indole-3-carboxamide
CID 159902782
5-amino-1-cyclopentyl-N-(2-methylpropyl)-4-oxoquinoline-3-carboxamide
CID 82212580
3-N-(2-cyclopentyl-2-methylpropyl)-4-fluorobenzene-1,3-dicarboxamide
CID 166285297
4-amino-N-(2-cyclopentyl-2-methylpropyl)benzamide
CID 115161070
2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)-6-fluorobenzamide
CID 52992747

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-cyclopentyl-2-methylpropyl)-1-(oxetan-3-yl)indole-3-carboxamide;ethane?
The IUPAC name of 4-chloro-N-(2-cyclopentyl-2-methylpropyl)-1-(oxetan-3-yl)indole-3-carboxamide;ethane (CID 145106770) is 4-chloro-N-(2-cyclopentyl-2-methylpropyl)-1-(oxetan-3-yl)indole-3-carboxamide;ethane.
What is the SMILES notation for 4-chloro-N-(2-cyclopentyl-2-methylpropyl)-1-(oxetan-3-yl)indole-3-carboxamide;ethane?
The canonical SMILES for 4-chloro-N-(2-cyclopentyl-2-methylpropyl)-1-(oxetan-3-yl)indole-3-carboxamide;ethane is CC.CC(C)(CNC(=O)c1cn(C2COC2)c2cccc(Cl)c12)C1CCCC1.
What is the InChIKey of 4-chloro-N-(2-cyclopentyl-2-methylpropyl)-1-(oxetan-3-yl)indole-3-carboxamide;ethane?
The InChIKey is MCARMFSWXSCZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O2.C2H6/c1-21(2,14-6-3-4-7-14)13-23-20(25)16-10-24(15-11-26-12-15)18-9-5-8-17(22)19(16)18;1-2/h5,8-10,14-15H,3-4,6-7,11-13H2,1-2H3,(H,23,25);1-2H3.
What are the key properties of 4-chloro-N-(2-cyclopentyl-2-methylpropyl)-1-(oxetan-3-yl)indole-3-carboxamide;ethane?
4-chloro-N-(2-cyclopentyl-2-methylpropyl)-1-(oxetan-3-yl)indole-3-carboxamide;ethane has a molecular weight of 404.98 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-cyclopentyl-2-methylpropyl)-1-(oxetan-3-yl)indole-3-carboxamide;ethane is sourced from PubChem (CID 145106770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).