6-bromo-N-[[(2S)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide

C14H15BrN2O2 — CID 39977668

IUPAC6-bromo-N-[[(2S)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C14H15BrN2O2/c15-10-4-3-9-6-13(17-12(9)7-10)14(18)16-8-11-2-1-5-19-11/h3-4,6-7,11,17H,1-2,5,8H2,(H,16,18)/t11-/m0/s1
InChIKeyGIXXYCRFIWQLJD-NSHDSACASA-N
MW323.19 g/mol
LogP2.84
Rot. Bonds3

About 6-bromo-N-[[(2S)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide

6-bromo-N-[[(2S)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide (PubChem CID 39977668) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 6-bromo-N-[[(2S)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[[(2S)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide
PubChem CID39977668
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name6-bromo-N-[[(2S)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C14H15BrN2O2/c15-10-4-3-9-6-13(17-12(9)7-10)14(18)16-8-11-2-1-5-19-11/h3-4,6-7,11,17H,1-2,5,8H2,(H,16,18)/t11-/m0/s1
InChIKeyGIXXYCRFIWQLJD-NSHDSACASA-N
XLogP2.84
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 2964205
N-[[(2R)-oxolan-2-yl]methyl]-3H-benzo[e]indole-2-carboxamide
CID 39977666
7-chloro-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 110849434
3-(4-bromophenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 20918075
4-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 110849428
4,6-dimethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 46521932
4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide
CID 7554172
N-(oxolan-2-ylmethyl)-1H-indole-5-carboxamide
CID 63717299
6-bromo-N-(3-hydroxypropyl)-1H-indole-2-carboxamide
CID 78854248
6-tert-butyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]-1H-indole-2-carboxamide
CID 97008925
6-bromo-2-methyl-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 46291470
2-(4-bromophenyl)-2-oxo-N-(oxolan-2-ylmethyl)acetamide
CID 82124945

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[[(2S)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-bromo-N-[[(2S)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide (CID 39977668) is 6-bromo-N-[[(2S)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[[(2S)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-bromo-N-[[(2S)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide is O=C(NC[C@@H]1CCCO1)c1cc2ccc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-N-[[(2S)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide?
The InChIKey is GIXXYCRFIWQLJD-NSHDSACASA-N. The full InChI is InChI=1S/C14H15BrN2O2/c15-10-4-3-9-6-13(17-12(9)7-10)14(18)16-8-11-2-1-5-19-11/h3-4,6-7,11,17H,1-2,5,8H2,(H,16,18)/t11-/m0/s1.
What are the key properties of 6-bromo-N-[[(2S)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide?
6-bromo-N-[[(2S)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide has a molecular weight of 323.19 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[[(2S)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 39977668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).