6-bromo-N-(oxan-4-yl)-1-propan-2-ylindole-3-carboxamide

C17H21BrN2O2 — CID 172674658

IUPAC6-bromo-N-(oxan-4-yl)-1-propan-2-ylindole-3-carboxamide
SMILESCC(C)n1cc(C(=O)NC2CCOCC2)c2ccc(Br)cc21
InChIInChI=1S/C17H21BrN2O2/c1-11(2)20-10-15(14-4-3-12(18)9-16(14)20)17(21)19-13-5-7-22-8-6-13/h3-4,9-11,13H,5-8H2,1-2H3,(H,19,21)
InChIKeyLEMSQXCBZJWVBQ-UHFFFAOYSA-N
MW365.27 g/mol
LogP3.89
Rot. Bonds3

About 6-bromo-N-(oxan-4-yl)-1-propan-2-ylindole-3-carboxamide

6-bromo-N-(oxan-4-yl)-1-propan-2-ylindole-3-carboxamide (PubChem CID 172674658) has the molecular formula C17H21BrN2O2 and a molecular weight of 365.27 g/mol. Its IUPAC name is 6-bromo-N-(oxan-4-yl)-1-propan-2-ylindole-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(oxan-4-yl)-1-propan-2-ylindole-3-carboxamide
PubChem CID172674658
Molecular FormulaC17H21BrN2O2
Molecular Weight365.27 g/mol
Exact Mass364.08
IUPAC Name6-bromo-N-(oxan-4-yl)-1-propan-2-ylindole-3-carboxamide
SMILESCC(C)n1cc(C(=O)NC2CCOCC2)c2ccc(Br)cc21
InChIInChI=1S/C17H21BrN2O2/c1-11(2)20-10-15(14-4-3-12(18)9-16(14)20)17(21)19-13-5-7-22-8-6-13/h3-4,9-11,13H,5-8H2,1-2H3,(H,19,21)
InChIKeyLEMSQXCBZJWVBQ-UHFFFAOYSA-N
XLogP3.89
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-(2-methoxyethyl)-1-propan-2-ylindole-3-carboxamide
CID 172674648
2,4-dibromo-N-(oxan-4-yl)benzamide
CID 103882568
6-bromo-N-(oxolan-3-yl)-1-(2,2,2-trifluoroethyl)indole-3-carboxamide
CID 172674750
5-bromo-2-fluoro-N-(oxan-4-yl)benzamide
CID 43610272
N-(oxan-4-yl)-2-propan-2-ylbenzamide
CID 177167403
4-bromo-2-fluoro-N-(oxolan-3-yl)benzamide
CID 80713377
2,4-dimethyl-N-(oxan-4-yl)benzamide
CID 70845723
5-bromo-N-(oxolan-3-yl)-1H-indole-3-carboxamide
CID 172654541
6-bromo-N-(oxan-4-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 135307811
6-bromo-N-(cyclopropylmethyl)-1-methylindole-3-carboxamide
CID 172654835
5-bromo-N-cyclobutyl-2-methylbenzamide
CID 65309674
1-(6-bromo-1-propan-2-ylindol-3-yl)-N-methylethanamine
CID 117196328

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(oxan-4-yl)-1-propan-2-ylindole-3-carboxamide?
The IUPAC name of 6-bromo-N-(oxan-4-yl)-1-propan-2-ylindole-3-carboxamide (CID 172674658) is 6-bromo-N-(oxan-4-yl)-1-propan-2-ylindole-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(oxan-4-yl)-1-propan-2-ylindole-3-carboxamide?
The canonical SMILES for 6-bromo-N-(oxan-4-yl)-1-propan-2-ylindole-3-carboxamide is CC(C)n1cc(C(=O)NC2CCOCC2)c2ccc(Br)cc21.
What is the InChIKey of 6-bromo-N-(oxan-4-yl)-1-propan-2-ylindole-3-carboxamide?
The InChIKey is LEMSQXCBZJWVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O2/c1-11(2)20-10-15(14-4-3-12(18)9-16(14)20)17(21)19-13-5-7-22-8-6-13/h3-4,9-11,13H,5-8H2,1-2H3,(H,19,21).
What are the key properties of 6-bromo-N-(oxan-4-yl)-1-propan-2-ylindole-3-carboxamide?
6-bromo-N-(oxan-4-yl)-1-propan-2-ylindole-3-carboxamide has a molecular weight of 365.27 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(oxan-4-yl)-1-propan-2-ylindole-3-carboxamide is sourced from PubChem (CID 172674658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).