[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate

C19H17BrN2O3 — CID 8607448

IUPAC[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate
SMILESC[C@@H](NC(=O)COC(=O)c1c[nH]c2ccccc12)c1ccc(Br)cc1
InChIInChI=1S/C19H17BrN2O3/c1-12(13-6-8-14(20)9-7-13)22-18(23)11-25-19(24)16-10-21-17-5-3-2-4-15(16)17/h2-10,12,21H,11H2,1H3,(H,22,23)/t12-/m1/s1
InChIKeyMPSGGCYDIGQSBL-GFCCVEGCSA-N
MW401.26 g/mol
LogP3.96
Rot. Bonds5

About [2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate

[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate (PubChem CID 8607448) has the molecular formula C19H17BrN2O3 and a molecular weight of 401.26 g/mol. Its IUPAC name is [2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate.

Molecular Properties

Compound Name[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate
PubChem CID8607448
Molecular FormulaC19H17BrN2O3
Molecular Weight401.26 g/mol
Exact Mass400.04
IUPAC Name[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate
SMILESC[C@@H](NC(=O)COC(=O)c1c[nH]c2ccccc12)c1ccc(Br)cc1
InChIInChI=1S/C19H17BrN2O3/c1-12(13-6-8-14(20)9-7-13)22-18(23)11-25-19(24)16-10-21-17-5-3-2-4-15(16)17/h2-10,12,21H,11H2,1H3,(H,22,23)/t12-/m1/s1
InChIKeyMPSGGCYDIGQSBL-GFCCVEGCSA-N
XLogP3.96
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 1H-indole-3-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-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 7518443
[2-[[(1S)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 7518426
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 8607480
[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] 2-acetamido-3-(1H-indol-3-yl)propanoate
CID 55325889
[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 3-aminonaphthalene-1-carboxylate
CID 97246650
[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 2-methylsulfanylbenzoate
CID 8526313
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-bromobenzoate
CID 2625805
N-[1-(4-bromophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 24544612
[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8969695
[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] naphthalene-1-carboxylate
CID 2558377
[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 7867413
N-[1-(4-aminophenyl)ethyl]-1H-indole-3-carboxamide
CID 116650078

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate?
The IUPAC name of [2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate (CID 8607448) is [2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate.
What is the SMILES notation for [2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate?
The canonical SMILES for [2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate is C[C@@H](NC(=O)COC(=O)c1c[nH]c2ccccc12)c1ccc(Br)cc1.
What is the InChIKey of [2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate?
The InChIKey is MPSGGCYDIGQSBL-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H17BrN2O3/c1-12(13-6-8-14(20)9-7-13)22-18(23)11-25-19(24)16-10-21-17-5-3-2-4-15(16)17/h2-10,12,21H,11H2,1H3,(H,22,23)/t12-/m1/s1.
What are the key properties of [2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate?
[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate has a molecular weight of 401.26 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate is sourced from PubChem (CID 8607448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).