2-(4-bromo-2-hydroxyphenyl)-N-(1-methyl-2,3-dihydroindol-6-yl)acetamide

C17H17BrN2O2 — CID 167811613

IUPAC2-(4-bromo-2-hydroxyphenyl)-N-(1-methyl-2,3-dihydroindol-6-yl)acetamide
SMILESCN1CCc2ccc(NC(=O)Cc3ccc(Br)cc3O)cc21
InChIInChI=1S/C17H17BrN2O2/c1-20-7-6-11-3-5-14(10-15(11)20)19-17(22)8-12-2-4-13(18)9-16(12)21/h2-5,9-10,21H,6-8H2,1H3,(H,19,22)
InChIKeyBGAPVMIIESSCAB-UHFFFAOYSA-N
MW361.24 g/mol
LogP3.33
Rot. Bonds3

About 2-(4-bromo-2-hydroxyphenyl)-N-(1-methyl-2,3-dihydroindol-6-yl)acetamide

2-(4-bromo-2-hydroxyphenyl)-N-(1-methyl-2,3-dihydroindol-6-yl)acetamide (PubChem CID 167811613) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is 2-(4-bromo-2-hydroxyphenyl)-N-(1-methyl-2,3-dihydroindol-6-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-hydroxyphenyl)-N-(1-methyl-2,3-dihydroindol-6-yl)acetamide
PubChem CID167811613
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC Name2-(4-bromo-2-hydroxyphenyl)-N-(1-methyl-2,3-dihydroindol-6-yl)acetamide
SMILESCN1CCc2ccc(NC(=O)Cc3ccc(Br)cc3O)cc21
InChIInChI=1S/C17H17BrN2O2/c1-20-7-6-11-3-5-14(10-15(11)20)19-17(22)8-12-2-4-13(18)9-16(12)21/h2-5,9-10,21H,6-8H2,1H3,(H,19,22)
InChIKeyBGAPVMIIESSCAB-UHFFFAOYSA-N
XLogP3.33
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-[[2-(4-bromo-2-hydroxyphenyl)acetyl]amino]-2,3-dihydroindole-1-carboxylate
CID 166229057
3,3-dimethyl-N-(1-methyl-2,3-dihydroindol-6-yl)butanamide
CID 110729245
6-bromo-1-methyl-2,3-dihydroindole
CID 13098380
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-methyl-2,3-dihydroindol-6-yl)acetamide
CID 154751837
2,2,2-trifluoro-N-(1-methyl-2,3-dihydroindol-6-yl)acetamide
CID 153408429
3-(2-methoxyphenyl)-N-(1-methyl-2,3-dihydroindol-6-yl)propanamide
CID 110729242
2-(2-methoxyphenyl)-N-(1-methyl-2,3-dihydroindol-5-yl)acetamide
CID 110729357
methyl 4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)amino]-4-oxobutanoate
CID 110729112
2-cyano-N-(1-methyl-2,3-dihydroindol-5-yl)acetamide
CID 168523549
3-[3-[(1-methyl-2,3-dihydroindol-6-yl)carbamoylamino]phenyl]propanoic acid
CID 122088927
5-bromo-1-methyl-2,3-dihydroindole
CID 19361435
4-[[2-(5-bromo-2-hydroxyphenyl)acetyl]amino]benzoic acid
CID 171484439

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-hydroxyphenyl)-N-(1-methyl-2,3-dihydroindol-6-yl)acetamide?
The IUPAC name of 2-(4-bromo-2-hydroxyphenyl)-N-(1-methyl-2,3-dihydroindol-6-yl)acetamide (CID 167811613) is 2-(4-bromo-2-hydroxyphenyl)-N-(1-methyl-2,3-dihydroindol-6-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-hydroxyphenyl)-N-(1-methyl-2,3-dihydroindol-6-yl)acetamide?
The canonical SMILES for 2-(4-bromo-2-hydroxyphenyl)-N-(1-methyl-2,3-dihydroindol-6-yl)acetamide is CN1CCc2ccc(NC(=O)Cc3ccc(Br)cc3O)cc21.
What is the InChIKey of 2-(4-bromo-2-hydroxyphenyl)-N-(1-methyl-2,3-dihydroindol-6-yl)acetamide?
The InChIKey is BGAPVMIIESSCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O2/c1-20-7-6-11-3-5-14(10-15(11)20)19-17(22)8-12-2-4-13(18)9-16(12)21/h2-5,9-10,21H,6-8H2,1H3,(H,19,22).
What are the key properties of 2-(4-bromo-2-hydroxyphenyl)-N-(1-methyl-2,3-dihydroindol-6-yl)acetamide?
2-(4-bromo-2-hydroxyphenyl)-N-(1-methyl-2,3-dihydroindol-6-yl)acetamide has a molecular weight of 361.24 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-hydroxyphenyl)-N-(1-methyl-2,3-dihydroindol-6-yl)acetamide is sourced from PubChem (CID 167811613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).