4-bromo-N-(2-cycloheptylethyl)-1-(2-hydroxyethyl)indole-3-carboxamide

C20H27BrN2O2 — CID 58011335

IUPAC4-bromo-N-(2-cycloheptylethyl)-1-(2-hydroxyethyl)indole-3-carboxamide
SMILESO=C(NCCC1CCCCCC1)c1cn(CCO)c2cccc(Br)c12
InChIInChI=1S/C20H27BrN2O2/c21-17-8-5-9-18-19(17)16(14-23(18)12-13-24)20(25)22-11-10-15-6-3-1-2-4-7-15/h5,8-9,14-15,24H,1-4,6-7,10-13H2,(H,22,25)
InChIKeyFXEFZJGVLOMBFZ-UHFFFAOYSA-N
MW407.35 g/mol
LogP4.49
Rot. Bonds6

About 4-bromo-N-(2-cycloheptylethyl)-1-(2-hydroxyethyl)indole-3-carboxamide

4-bromo-N-(2-cycloheptylethyl)-1-(2-hydroxyethyl)indole-3-carboxamide (PubChem CID 58011335) has the molecular formula C20H27BrN2O2 and a molecular weight of 407.35 g/mol. Its IUPAC name is 4-bromo-N-(2-cycloheptylethyl)-1-(2-hydroxyethyl)indole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-cycloheptylethyl)-1-(2-hydroxyethyl)indole-3-carboxamide
PubChem CID58011335
Molecular FormulaC20H27BrN2O2
Molecular Weight407.35 g/mol
Exact Mass406.13
IUPAC Name4-bromo-N-(2-cycloheptylethyl)-1-(2-hydroxyethyl)indole-3-carboxamide
SMILESO=C(NCCC1CCCCCC1)c1cn(CCO)c2cccc(Br)c12
InChIInChI=1S/C20H27BrN2O2/c21-17-8-5-9-18-19(17)16(14-23(18)12-13-24)20(25)22-11-10-15-6-3-1-2-4-7-15/h5,8-9,14-15,24H,1-4,6-7,10-13H2,(H,22,25)
InChIKeyFXEFZJGVLOMBFZ-UHFFFAOYSA-N
XLogP4.49
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.35
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(2-cycloheptylethyl)-1-[2-(oxetan-3-yl)ethyl]indole-3-carboxamide
CID 71077172
4-bromo-N-(cycloheptylmethyl)-1-[2-(oxetan-3-yl)ethyl]indole-3-carboxamide
CID 71077090
4-bromo-N-(cycloheptylmethyl)-1-ethylindole-3-carboxamide
CID 58011456
4-bromo-N-(cycloheptylmethyl)-1-(oxetan-3-ylmethyl)indole-3-carboxamide
CID 71077064
N-(cycloheptylmethyl)-4-methyl-1-propylindole-3-carboxamide
CID 58011311
N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-hydroxyethyl)-4-(trifluoromethyl)indole-3-carboxamide
CID 145106803
3-bromo-N-(2-cyclohexylethyl)benzamide
CID 63524561
2-bromo-N-(2-cyclohexylethyl)furan-3-carboxamide
CID 106852683
6-chloro-N-(cycloheptylmethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide
CID 58011385
2-bromo-N-(2-cyclobutylethyl)-3-methylbenzamide
CID 103855320
5-bromo-2-chloro-N-(2-cycloheptylethyl)benzamide
CID 100537060
N-(1-bicyclo[2.2.2]octanylmethyl)-4-bromo-1-[(3-hydroxyoxetan-3-yl)methyl]indole-3-carboxamide
CID 71078632

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-cycloheptylethyl)-1-(2-hydroxyethyl)indole-3-carboxamide?
The IUPAC name of 4-bromo-N-(2-cycloheptylethyl)-1-(2-hydroxyethyl)indole-3-carboxamide (CID 58011335) is 4-bromo-N-(2-cycloheptylethyl)-1-(2-hydroxyethyl)indole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-cycloheptylethyl)-1-(2-hydroxyethyl)indole-3-carboxamide?
The canonical SMILES for 4-bromo-N-(2-cycloheptylethyl)-1-(2-hydroxyethyl)indole-3-carboxamide is O=C(NCCC1CCCCCC1)c1cn(CCO)c2cccc(Br)c12.
What is the InChIKey of 4-bromo-N-(2-cycloheptylethyl)-1-(2-hydroxyethyl)indole-3-carboxamide?
The InChIKey is FXEFZJGVLOMBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27BrN2O2/c21-17-8-5-9-18-19(17)16(14-23(18)12-13-24)20(25)22-11-10-15-6-3-1-2-4-7-15/h5,8-9,14-15,24H,1-4,6-7,10-13H2,(H,22,25).
What are the key properties of 4-bromo-N-(2-cycloheptylethyl)-1-(2-hydroxyethyl)indole-3-carboxamide?
4-bromo-N-(2-cycloheptylethyl)-1-(2-hydroxyethyl)indole-3-carboxamide has a molecular weight of 407.35 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-cycloheptylethyl)-1-(2-hydroxyethyl)indole-3-carboxamide is sourced from PubChem (CID 58011335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).