benzyl N-[3-(5-bromo-1H-indol-3-yl)prop-2-enyl]carbamate

C19H17BrN2O2 — CID 169472989

IUPACbenzyl N-[3-(5-bromo-1H-indol-3-yl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1c[nH]c2ccc(Br)cc12)OCc1ccccc1
InChIInChI=1S/C19H17BrN2O2/c20-16-8-9-18-17(11-16)15(12-22-18)7-4-10-21-19(23)24-13-14-5-2-1-3-6-14/h1-9,11-12,22H,10,13H2,(H,21,23)
InChIKeySDECZGVKNBNBFR-UHFFFAOYSA-N
MW385.26 g/mol
LogP4.87
Rot. Bonds5

About benzyl N-[3-(5-bromo-1H-indol-3-yl)prop-2-enyl]carbamate

benzyl N-[3-(5-bromo-1H-indol-3-yl)prop-2-enyl]carbamate (PubChem CID 169472989) has the molecular formula C19H17BrN2O2 and a molecular weight of 385.26 g/mol. Its IUPAC name is benzyl N-[3-(5-bromo-1H-indol-3-yl)prop-2-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(5-bromo-1H-indol-3-yl)prop-2-enyl]carbamate
PubChem CID169472989
Molecular FormulaC19H17BrN2O2
Molecular Weight385.26 g/mol
Exact Mass384.05
IUPAC Namebenzyl N-[3-(5-bromo-1H-indol-3-yl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1c[nH]c2ccc(Br)cc12)OCc1ccccc1
InChIInChI=1S/C19H17BrN2O2/c20-16-8-9-18-17(11-16)15(12-22-18)7-4-10-21-19(23)24-13-14-5-2-1-3-6-14/h1-9,11-12,22H,10,13H2,(H,21,23)
InChIKeySDECZGVKNBNBFR-UHFFFAOYSA-N
XLogP4.87
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.26
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze benzyl N-[3-(5-bromo-1H-indol-3-yl)prop-2-enyl]carbamate 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

benzyl N-[3-(4-bromo-2-fluorophenyl)prop-2-enyl]carbamate
CID 169472663
benzyl N-[3-(5-bromo-2-fluorophenyl)prop-2-enyl]carbamate
CID 169472662
benzyl N-[3-(2,5-dihydroxyphenyl)prop-2-enyl]carbamate
CID 169472876
benzyl N-[3-(4-bromothiophen-3-yl)prop-2-enyl]carbamate
CID 169472998
benzyl N-(3-naphthalen-1-ylprop-2-enyl)carbamate
CID 169471773
benzyl N-[3-(3-formyl-1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]carbamate
CID 169472347
benzyl N-[3-(4-amino-2,5-dimethylphenyl)prop-2-enyl]carbamate
CID 169471640
4-oxo-7-[3-(phenylmethoxycarbonylamino)prop-1-enyl]-1H-quinoline-3-carboxylic acid
CID 169472608
benzyl N-[3-(2-ethylphenyl)prop-2-enyl]carbamate
CID 169471140
benzyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471204
benzyl N-[3-(4-fluoronaphthalen-1-yl)prop-2-enyl]carbamate
CID 169472312
benzyl N-[3-(2,4-difluorophenyl)prop-2-enyl]carbamate
CID 169471158

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(5-bromo-1H-indol-3-yl)prop-2-enyl]carbamate?
The IUPAC name of benzyl N-[3-(5-bromo-1H-indol-3-yl)prop-2-enyl]carbamate (CID 169472989) is benzyl N-[3-(5-bromo-1H-indol-3-yl)prop-2-enyl]carbamate.
What is the SMILES notation for benzyl N-[3-(5-bromo-1H-indol-3-yl)prop-2-enyl]carbamate?
The canonical SMILES for benzyl N-[3-(5-bromo-1H-indol-3-yl)prop-2-enyl]carbamate is O=C(NCC=Cc1c[nH]c2ccc(Br)cc12)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-(5-bromo-1H-indol-3-yl)prop-2-enyl]carbamate?
The InChIKey is SDECZGVKNBNBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O2/c20-16-8-9-18-17(11-16)15(12-22-18)7-4-10-21-19(23)24-13-14-5-2-1-3-6-14/h1-9,11-12,22H,10,13H2,(H,21,23).
What are the key properties of benzyl N-[3-(5-bromo-1H-indol-3-yl)prop-2-enyl]carbamate?
benzyl N-[3-(5-bromo-1H-indol-3-yl)prop-2-enyl]carbamate has a molecular weight of 385.26 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(5-bromo-1H-indol-3-yl)prop-2-enyl]carbamate is sourced from PubChem (CID 169472989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).