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

C20H19BrN2O3 — CID 7518443

IUPAC[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate
SMILESCC[C@@H](NC(=O)COC(=O)c1c[nH]c2ccccc12)c1ccc(Br)cc1
InChIInChI=1S/C20H19BrN2O3/c1-2-17(13-7-9-14(21)10-8-13)23-19(24)12-26-20(25)16-11-22-18-6-4-3-5-15(16)18/h3-11,17,22H,2,12H2,1H3,(H,23,24)/t17-/m1/s1
InChIKeyFSEQHOVUKRMUGP-QGZVFWFLSA-N
MW415.29 g/mol
LogP4.35
Rot. Bonds6

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

[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate (PubChem CID 7518443) has the molecular formula C20H19BrN2O3 and a molecular weight of 415.29 g/mol. Its IUPAC name is [2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate.

Molecular Properties

Compound Name[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate
PubChem CID7518443
Molecular FormulaC20H19BrN2O3
Molecular Weight415.29 g/mol
Exact Mass414.06
IUPAC Name[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate
SMILESCC[C@@H](NC(=O)COC(=O)c1c[nH]c2ccccc12)c1ccc(Br)cc1
InChIInChI=1S/C20H19BrN2O3/c1-2-17(13-7-9-14(21)10-8-13)23-19(24)12-26-20(25)16-11-22-18-6-4-3-5-15(16)18/h3-11,17,22H,2,12H2,1H3,(H,23,24)/t17-/m1/s1
InChIKeyFSEQHOVUKRMUGP-QGZVFWFLSA-N
XLogP4.35
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.29
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[(1S)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 7518426
[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 8607448
N-[(1R)-1-(4-bromophenyl)propyl]-3-(1H-indol-3-yl)propanamide
CID 41099576
[2-[[(1S)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] thiophene-2-carboxylate
CID 8631086
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 8607480
[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 7835054
[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 7758916
ethyl 1H-indole-3-carboxylate;hydrate;hydrochloride
CID 141063038
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 1H-indole-3-carboxylate
CID 7492820
[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 3-cyanobenzoate
CID 7454500
2-amino-N-[1-(4-bromophenyl)propyl]acetamide
CID 43233777
[2-oxo-2-(2-phenylethylamino)ethyl] 1H-indole-3-carboxylate
CID 7492818

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate?
The IUPAC name of [2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate (CID 7518443) is [2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate.
What is the SMILES notation for [2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate?
The canonical SMILES for [2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate is CC[C@@H](NC(=O)COC(=O)c1c[nH]c2ccccc12)c1ccc(Br)cc1.
What is the InChIKey of [2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate?
The InChIKey is FSEQHOVUKRMUGP-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H19BrN2O3/c1-2-17(13-7-9-14(21)10-8-13)23-19(24)12-26-20(25)16-11-22-18-6-4-3-5-15(16)18/h3-11,17,22H,2,12H2,1H3,(H,23,24)/t17-/m1/s1.
What are the key properties of [2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate?
[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate has a molecular weight of 415.29 g/mol, XLogP of 4.35, 6 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)propyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate is sourced from PubChem (CID 7518443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).