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

C16H13BrN2O2 — CID 159678407

IUPAC6-bromo-N-(2-hydroxy-3-methylphenyl)-1H-indole-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc3ccc(Br)cc3[nH]2)c1O
InChIInChI=1S/C16H13BrN2O2/c1-9-3-2-4-12(15(9)20)19-16(21)14-7-10-5-6-11(17)8-13(10)18-14/h2-8,18,20H,1H3,(H,19,21)
InChIKeyHPGUWVIUTSABMP-UHFFFAOYSA-N
MW345.20 g/mol
LogP4.20
Rot. Bonds2

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

6-bromo-N-(2-hydroxy-3-methylphenyl)-1H-indole-2-carboxamide (PubChem CID 159678407) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is 6-bromo-N-(2-hydroxy-3-methylphenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2-hydroxy-3-methylphenyl)-1H-indole-2-carboxamide
PubChem CID159678407
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name6-bromo-N-(2-hydroxy-3-methylphenyl)-1H-indole-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc3ccc(Br)cc3[nH]2)c1O
InChIInChI=1S/C16H13BrN2O2/c1-9-3-2-4-12(15(9)20)19-16(21)14-7-10-5-6-11(17)8-13(10)18-14/h2-8,18,20H,1H3,(H,19,21)
InChIKeyHPGUWVIUTSABMP-UHFFFAOYSA-N
XLogP4.20
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-(2-fluorophenyl)-1H-indole-2-carboxamide
CID 47155114
6-bromo-N-(3-bromophenyl)-1H-indole-2-carboxamide
CID 175535404
6-bromo-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
CID 60555509
6-bromo-N-(4,5-dimethyl-2-nitrophenyl)-1H-indole-2-carboxamide
CID 157439113
6-bromo-N-(2-propoxyphenyl)-1H-indole-2-carboxamide
CID 55566139
N-(2,6-dimethylphenyl)-6-methyl-1H-indole-2-carboxamide
CID 113207344
6-bromo-N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1H-indole-2-carboxamide
CID 87045715
6-bromo-N-[(3-bromophenyl)methyl]-1H-indole-2-carboxamide
CID 175535401
N-(4-bromo-2-methylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 113207179
7-amino-N-(4-bromo-2-methylphenyl)-1H-indole-2-carboxamide
CID 63117458
6-bromo-N-pyrazin-2-yl-1H-indole-2-carboxamide
CID 137381836
N-[4-(2-amino-2-oxoethyl)phenyl]-6-bromo-1H-indole-2-carboxamide
CID 31861888

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-hydroxy-3-methylphenyl)-1H-indole-2-carboxamide?
The IUPAC name of 6-bromo-N-(2-hydroxy-3-methylphenyl)-1H-indole-2-carboxamide (CID 159678407) is 6-bromo-N-(2-hydroxy-3-methylphenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(2-hydroxy-3-methylphenyl)-1H-indole-2-carboxamide?
The canonical SMILES for 6-bromo-N-(2-hydroxy-3-methylphenyl)-1H-indole-2-carboxamide is Cc1cccc(NC(=O)c2cc3ccc(Br)cc3[nH]2)c1O.
What is the InChIKey of 6-bromo-N-(2-hydroxy-3-methylphenyl)-1H-indole-2-carboxamide?
The InChIKey is HPGUWVIUTSABMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c1-9-3-2-4-12(15(9)20)19-16(21)14-7-10-5-6-11(17)8-13(10)18-14/h2-8,18,20H,1H3,(H,19,21).
What are the key properties of 6-bromo-N-(2-hydroxy-3-methylphenyl)-1H-indole-2-carboxamide?
6-bromo-N-(2-hydroxy-3-methylphenyl)-1H-indole-2-carboxamide has a molecular weight of 345.20 g/mol, XLogP of 4.20, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-hydroxy-3-methylphenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 159678407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).