3-bromo-2-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide

C14H16Br2N2O — CID 100943042

IUPAC3-bromo-2-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C(CBr)CBr
InChIInChI=1S/C14H16Br2N2O/c15-7-11(8-16)14(19)17-6-5-10-9-18-13-4-2-1-3-12(10)13/h1-4,9,11,18H,5-8H2,(H,17,19)
InChIKeyRLBAWFMUWANDML-UHFFFAOYSA-N
MW388.10 g/mol
LogP3.23
Rot. Bonds6

About 3-bromo-2-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide

3-bromo-2-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide (PubChem CID 100943042) has the molecular formula C14H16Br2N2O and a molecular weight of 388.10 g/mol. Its IUPAC name is 3-bromo-2-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-bromo-2-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
PubChem CID100943042
Molecular FormulaC14H16Br2N2O
Molecular Weight388.10 g/mol
Exact Mass385.96
IUPAC Name3-bromo-2-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C(CBr)CBr
InChIInChI=1S/C14H16Br2N2O/c15-7-11(8-16)14(19)17-6-5-10-9-18-13-4-2-1-3-12(10)13/h1-4,9,11,18H,5-8H2,(H,17,19)
InChIKeyRLBAWFMUWANDML-UHFFFAOYSA-N
XLogP3.23
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.10
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 119263369
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
4-[2-(1H-indol-3-yl)ethylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496413
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CID 163091654
1-(cyanomethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108864863
N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide
CID 2026350
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)acetamide
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N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 51210971
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopentanamide
CID 20668757
1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The IUPAC name of 3-bromo-2-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide (CID 100943042) is 3-bromo-2-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-bromo-2-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The canonical SMILES for 3-bromo-2-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide is O=C(NCCc1c[nH]c2ccccc12)C(CBr)CBr.
What is the InChIKey of 3-bromo-2-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The InChIKey is RLBAWFMUWANDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2N2O/c15-7-11(8-16)14(19)17-6-5-10-9-18-13-4-2-1-3-12(10)13/h1-4,9,11,18H,5-8H2,(H,17,19).
What are the key properties of 3-bromo-2-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide?
3-bromo-2-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide has a molecular weight of 388.10 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide is sourced from PubChem (CID 100943042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).