6-bromo-N-(3-hydroxypropyl)-1H-indole-2-carboxamide

C12H13BrN2O2 — CID 78854248

IUPAC6-bromo-N-(3-hydroxypropyl)-1H-indole-2-carboxamide
SMILESO=C(NCCCO)c1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C12H13BrN2O2/c13-9-3-2-8-6-11(15-10(8)7-9)12(17)14-4-1-5-16/h2-3,6-7,15-16H,1,4-5H2,(H,14,17)
InChIKeyAHPUXGGLRQVYAC-UHFFFAOYSA-N
MW297.15 g/mol
LogP2.04
Rot. Bonds4

About 6-bromo-N-(3-hydroxypropyl)-1H-indole-2-carboxamide

6-bromo-N-(3-hydroxypropyl)-1H-indole-2-carboxamide (PubChem CID 78854248) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is 6-bromo-N-(3-hydroxypropyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(3-hydroxypropyl)-1H-indole-2-carboxamide
PubChem CID78854248
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name6-bromo-N-(3-hydroxypropyl)-1H-indole-2-carboxamide
SMILESO=C(NCCCO)c1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C12H13BrN2O2/c13-9-3-2-8-6-11(15-10(8)7-9)12(17)14-4-1-5-16/h2-3,6-7,15-16H,1,4-5H2,(H,14,17)
InChIKeyAHPUXGGLRQVYAC-UHFFFAOYSA-N
XLogP2.04
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
CID 86953104
N-(6-hydroxyhexyl)-1H-indole-2-carboxamide
CID 11492630
6-bromo-N-[(3-bromophenyl)methyl]-1H-indole-2-carboxamide
CID 175535401
6-bromo-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide
CID 135324687
6-bromo-N-[2-(1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide
CID 55558900
6-bromo-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide
CID 86930517
5-bromo-N-(3-propan-2-yloxypropyl)-1H-indole-2-carboxamide
CID 39983958
6-bromo-N-(3-bromophenyl)-1H-indole-2-carboxamide
CID 175535404
6-bromo-N-(2-fluorophenyl)-1H-indole-2-carboxamide
CID 47155114
6-bromo-N-[[(2S)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide
CID 39977668
6-methoxy-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4905349
4-bromo-2-chloro-N-(5-hydroxypentyl)benzamide
CID 107319112

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-hydroxypropyl)-1H-indole-2-carboxamide?
The IUPAC name of 6-bromo-N-(3-hydroxypropyl)-1H-indole-2-carboxamide (CID 78854248) is 6-bromo-N-(3-hydroxypropyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(3-hydroxypropyl)-1H-indole-2-carboxamide?
The canonical SMILES for 6-bromo-N-(3-hydroxypropyl)-1H-indole-2-carboxamide is O=C(NCCCO)c1cc2ccc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-N-(3-hydroxypropyl)-1H-indole-2-carboxamide?
The InChIKey is AHPUXGGLRQVYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c13-9-3-2-8-6-11(15-10(8)7-9)12(17)14-4-1-5-16/h2-3,6-7,15-16H,1,4-5H2,(H,14,17).
What are the key properties of 6-bromo-N-(3-hydroxypropyl)-1H-indole-2-carboxamide?
6-bromo-N-(3-hydroxypropyl)-1H-indole-2-carboxamide has a molecular weight of 297.15 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-hydroxypropyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 78854248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).