[4-[1-amino-3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3-bromophenyl] methyl carbonate

C19H19BrN2O4 — CID 70253678

IUPAC[4-[1-amino-3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3-bromophenyl] methyl carbonate
SMILESCOC(=O)Oc1ccc(C(N)CC(=O)N2CCc3ccccc32)c(Br)c1
InChIInChI=1S/C19H19BrN2O4/c1-25-19(24)26-13-6-7-14(15(20)10-13)16(21)11-18(23)22-9-8-12-4-2-3-5-17(12)22/h2-7,10,16H,8-9,11,21H2,1H3
InChIKeyRNRFVJVHZFFQFM-UHFFFAOYSA-N
MW419.28 g/mol
LogP3.57
Rot. Bonds4

About [4-[1-amino-3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3-bromophenyl] methyl carbonate

[4-[1-amino-3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3-bromophenyl] methyl carbonate (PubChem CID 70253678) has the molecular formula C19H19BrN2O4 and a molecular weight of 419.28 g/mol. Its IUPAC name is [4-[1-amino-3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3-bromophenyl] methyl carbonate.

Molecular Properties

Compound Name[4-[1-amino-3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3-bromophenyl] methyl carbonate
PubChem CID70253678
Molecular FormulaC19H19BrN2O4
Molecular Weight419.28 g/mol
Exact Mass418.05
IUPAC Name[4-[1-amino-3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3-bromophenyl] methyl carbonate
SMILESCOC(=O)Oc1ccc(C(N)CC(=O)N2CCc3ccccc32)c(Br)c1
InChIInChI=1S/C19H19BrN2O4/c1-25-19(24)26-13-6-7-14(15(20)10-13)16(21)11-18(23)22-9-8-12-4-2-3-5-17(12)22/h2-7,10,16H,8-9,11,21H2,1H3
InChIKeyRNRFVJVHZFFQFM-UHFFFAOYSA-N
XLogP3.57
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.28
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-[1-amino-3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3-bromophenyl] methyl carbonate 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

3-amino-3-(2-bromo-4-methoxy-6-methylphenyl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 70255890
[4-[1-amino-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-bromophenyl] prop-2-enyl carbonate
CID 57222880
[4-[1-amino-3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3,5-dimethylphenyl] prop-2-enyl carbonate
CID 70255772
[4-[(2R)-2-amino-3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3,5-dimethylphenyl] methyl carbonate
CID 54026327
[4-[1-amino-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-bromo-5-methylphenyl] ethyl carbonate
CID 57120640
methyl 3-(2,3-dihydroindol-1-yl)-3-oxopropanoate
CID 8990559
[4-[1-amino-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-bromo-5-methylphenyl] ethyl carbonate
CID 57157732
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 110370754
3-(2,3-dihydroindol-1-yl)-N-[(4-methoxyphenyl)methyl]-3-oxopropanamide
CID 108947050
N-[(1R)-1-(4-methoxyphenyl)-3-oxo-3-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propyl]acetamide
CID 51956415
(3-bromo-4-hydroxy-5-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 18165322
1-(2,3-dihydroindol-1-yl)-2-[2-(4-methoxyphenoxy)ethylamino]ethanone
CID 109005214

Frequently Asked Questions

What is the IUPAC name of [4-[1-amino-3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3-bromophenyl] methyl carbonate?
The IUPAC name of [4-[1-amino-3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3-bromophenyl] methyl carbonate (CID 70253678) is [4-[1-amino-3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3-bromophenyl] methyl carbonate.
What is the SMILES notation for [4-[1-amino-3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3-bromophenyl] methyl carbonate?
The canonical SMILES for [4-[1-amino-3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3-bromophenyl] methyl carbonate is COC(=O)Oc1ccc(C(N)CC(=O)N2CCc3ccccc32)c(Br)c1.
What is the InChIKey of [4-[1-amino-3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3-bromophenyl] methyl carbonate?
The InChIKey is RNRFVJVHZFFQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O4/c1-25-19(24)26-13-6-7-14(15(20)10-13)16(21)11-18(23)22-9-8-12-4-2-3-5-17(12)22/h2-7,10,16H,8-9,11,21H2,1H3.
What are the key properties of [4-[1-amino-3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3-bromophenyl] methyl carbonate?
[4-[1-amino-3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3-bromophenyl] methyl carbonate has a molecular weight of 419.28 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-amino-3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3-bromophenyl] methyl carbonate is sourced from PubChem (CID 70253678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).