3-bromo-N-(2-hydroxyphenyl)-1-methylindole-2-carboxamide

C16H13BrN2O2 — CID 46435355

IUPAC3-bromo-N-(2-hydroxyphenyl)-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccccc2O)c(Br)c2ccccc21
InChIInChI=1S/C16H13BrN2O2/c1-19-12-8-4-2-6-10(12)14(17)15(19)16(21)18-11-7-3-5-9-13(11)20/h2-9,20H,1H3,(H,18,21)
InChIKeyLXFWJFACFDSLKF-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.90
Rot. Bonds2

About 3-bromo-N-(2-hydroxyphenyl)-1-methylindole-2-carboxamide

3-bromo-N-(2-hydroxyphenyl)-1-methylindole-2-carboxamide (PubChem CID 46435355) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is 3-bromo-N-(2-hydroxyphenyl)-1-methylindole-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(2-hydroxyphenyl)-1-methylindole-2-carboxamide
PubChem CID46435355
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name3-bromo-N-(2-hydroxyphenyl)-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccccc2O)c(Br)c2ccccc21
InChIInChI=1S/C16H13BrN2O2/c1-19-12-8-4-2-6-10(12)14(17)15(19)16(21)18-11-7-3-5-9-13(11)20/h2-9,20H,1H3,(H,18,21)
InChIKeyLXFWJFACFDSLKF-UHFFFAOYSA-N
XLogP3.90
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-1-methyl-N-(2-pyrrolidin-1-ylphenyl)indole-2-carboxamide
CID 46435453
3-bromo-1-methyl-N-(2-pyrazol-1-ylphenyl)indole-2-carboxamide
CID 55932053
3-bromo-N-(2-methoxy-5-methylphenyl)-1-methylindole-2-carboxamide
CID 55663937
3-bromo-1-methylindole-2-carboxylic acid
CID 15290332
3-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylindole-2-carboxamide
CID 71934822
3-bromo-N-[4-(cyclopropylcarbamoylamino)phenyl]-1-methylindole-2-carboxamide
CID 55824808
3-bromo-N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-1-methylindole-2-carboxamide
CID 55981884
3-bromo-N-[2-(dimethylamino)-2-methylpropyl]-1-methylindole-2-carboxamide
CID 71889789
3-bromo-N-[(2-fluorophenyl)methyl]-1-methylindole-2-carboxamide
CID 46435391
3-bromo-1-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide
CID 46435446
3-bromo-1-methyl-N-[2-(2-methylphenyl)ethyl]indole-2-carboxamide
CID 55662850
4-chloro-N-(2-hydroxyphenyl)-1-methylpyrazole-5-carboxamide
CID 19475778

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-hydroxyphenyl)-1-methylindole-2-carboxamide?
The IUPAC name of 3-bromo-N-(2-hydroxyphenyl)-1-methylindole-2-carboxamide (CID 46435355) is 3-bromo-N-(2-hydroxyphenyl)-1-methylindole-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(2-hydroxyphenyl)-1-methylindole-2-carboxamide?
The canonical SMILES for 3-bromo-N-(2-hydroxyphenyl)-1-methylindole-2-carboxamide is Cn1c(C(=O)Nc2ccccc2O)c(Br)c2ccccc21.
What is the InChIKey of 3-bromo-N-(2-hydroxyphenyl)-1-methylindole-2-carboxamide?
The InChIKey is LXFWJFACFDSLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c1-19-12-8-4-2-6-10(12)14(17)15(19)16(21)18-11-7-3-5-9-13(11)20/h2-9,20H,1H3,(H,18,21).
What are the key properties of 3-bromo-N-(2-hydroxyphenyl)-1-methylindole-2-carboxamide?
3-bromo-N-(2-hydroxyphenyl)-1-methylindole-2-carboxamide has a molecular weight of 345.20 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-hydroxyphenyl)-1-methylindole-2-carboxamide is sourced from PubChem (CID 46435355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).