ethyl 5-[[2-(4-bromo-2-hydroxyphenyl)acetyl]amino]-2,3-dihydroindole-1-carboxylate

C19H19BrN2O4 — CID 166229057

IUPACethyl 5-[[2-(4-bromo-2-hydroxyphenyl)acetyl]amino]-2,3-dihydroindole-1-carboxylate
SMILESCCOC(=O)N1CCc2cc(NC(=O)Cc3ccc(Br)cc3O)ccc21
InChIInChI=1S/C19H19BrN2O4/c1-2-26-19(25)22-8-7-12-9-15(5-6-16(12)22)21-18(24)10-13-3-4-14(20)11-17(13)23/h3-6,9,11,23H,2,7-8,10H2,1H3,(H,21,24)
InChIKeyLJGWBXRCMJZYKT-UHFFFAOYSA-N
MW419.28 g/mol
LogP3.85
Rot. Bonds4

About ethyl 5-[[2-(4-bromo-2-hydroxyphenyl)acetyl]amino]-2,3-dihydroindole-1-carboxylate

ethyl 5-[[2-(4-bromo-2-hydroxyphenyl)acetyl]amino]-2,3-dihydroindole-1-carboxylate (PubChem CID 166229057) has the molecular formula C19H19BrN2O4 and a molecular weight of 419.28 g/mol. Its IUPAC name is ethyl 5-[[2-(4-bromo-2-hydroxyphenyl)acetyl]amino]-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[2-(4-bromo-2-hydroxyphenyl)acetyl]amino]-2,3-dihydroindole-1-carboxylate
PubChem CID166229057
Molecular FormulaC19H19BrN2O4
Molecular Weight419.28 g/mol
Exact Mass418.05
IUPAC Nameethyl 5-[[2-(4-bromo-2-hydroxyphenyl)acetyl]amino]-2,3-dihydroindole-1-carboxylate
SMILESCCOC(=O)N1CCc2cc(NC(=O)Cc3ccc(Br)cc3O)ccc21
InChIInChI=1S/C19H19BrN2O4/c1-2-26-19(25)22-8-7-12-9-15(5-6-16(12)22)21-18(24)10-13-3-4-14(20)11-17(13)23/h3-6,9,11,23H,2,7-8,10H2,1H3,(H,21,24)
InChIKeyLJGWBXRCMJZYKT-UHFFFAOYSA-N
XLogP3.85
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.28
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 5-[[2-(4-bromo-2-hydroxyphenyl)acetyl]amino]-2,3-dihydroindole-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromo-2-hydroxyphenyl)-N-(1-methyl-2,3-dihydroindol-6-yl)acetamide
CID 167811613
ethyl 5-[[(2R)-2-(5-methylfuran-2-yl)propanoyl]amino]-2,3-dihydroindole-1-carboxylate
CID 97218193
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 2-hydroxybenzoate
CID 17463575
ethyl 5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxylate
CID 110316008
N-(1-acetyl-2,3-dihydroindol-5-yl)pentanamide
CID 39952141
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119690426
3-bromo-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide
CID 110358428
ethyl 2-[(1-benzoyl-2,3-dihydroindol-5-yl)amino]-2-oxoacetate
CID 112506147
N-(4-bromophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide
CID 46254034
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-aminobutanamide;hydrochloride
CID 119271758
2-(5-methyl-1,2-oxazol-3-yl)-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]acetamide
CID 110609553

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[2-(4-bromo-2-hydroxyphenyl)acetyl]amino]-2,3-dihydroindole-1-carboxylate?
The IUPAC name of ethyl 5-[[2-(4-bromo-2-hydroxyphenyl)acetyl]amino]-2,3-dihydroindole-1-carboxylate (CID 166229057) is ethyl 5-[[2-(4-bromo-2-hydroxyphenyl)acetyl]amino]-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for ethyl 5-[[2-(4-bromo-2-hydroxyphenyl)acetyl]amino]-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for ethyl 5-[[2-(4-bromo-2-hydroxyphenyl)acetyl]amino]-2,3-dihydroindole-1-carboxylate is CCOC(=O)N1CCc2cc(NC(=O)Cc3ccc(Br)cc3O)ccc21.
What is the InChIKey of ethyl 5-[[2-(4-bromo-2-hydroxyphenyl)acetyl]amino]-2,3-dihydroindole-1-carboxylate?
The InChIKey is LJGWBXRCMJZYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O4/c1-2-26-19(25)22-8-7-12-9-15(5-6-16(12)22)21-18(24)10-13-3-4-14(20)11-17(13)23/h3-6,9,11,23H,2,7-8,10H2,1H3,(H,21,24).
What are the key properties of ethyl 5-[[2-(4-bromo-2-hydroxyphenyl)acetyl]amino]-2,3-dihydroindole-1-carboxylate?
ethyl 5-[[2-(4-bromo-2-hydroxyphenyl)acetyl]amino]-2,3-dihydroindole-1-carboxylate has a molecular weight of 419.28 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[2-(4-bromo-2-hydroxyphenyl)acetyl]amino]-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 166229057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).