3-(5-bromo-1H-indol-3-yl)-N-(2-hydroxyethyl)-2-methyliminopropanamide

C14H16BrN3O2 — CID 59324195

IUPAC3-(5-bromo-1H-indol-3-yl)-N-(2-hydroxyethyl)-2-methyliminopropanamide
SMILESC/N=C(/Cc1c[nH]c2ccc(Br)cc12)C(=O)NCCO
InChIInChI=1S/C14H16BrN3O2/c1-16-13(14(20)17-4-5-19)6-9-8-18-12-3-2-10(15)7-11(9)12/h2-3,7-8,18-19H,4-6H2,1H3,(H,17,20)/b16-13-
InChIKeyVQORIIIVGXPWQX-SSZFMOIBSA-N
MW338.21 g/mol
LogP1.65
Rot. Bonds5

About 3-(5-bromo-1H-indol-3-yl)-N-(2-hydroxyethyl)-2-methyliminopropanamide

3-(5-bromo-1H-indol-3-yl)-N-(2-hydroxyethyl)-2-methyliminopropanamide (PubChem CID 59324195) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 3-(5-bromo-1H-indol-3-yl)-N-(2-hydroxyethyl)-2-methyliminopropanamide.

Molecular Properties

Compound Name3-(5-bromo-1H-indol-3-yl)-N-(2-hydroxyethyl)-2-methyliminopropanamide
PubChem CID59324195
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name3-(5-bromo-1H-indol-3-yl)-N-(2-hydroxyethyl)-2-methyliminopropanamide
SMILESC/N=C(/Cc1c[nH]c2ccc(Br)cc12)C(=O)NCCO
InChIInChI=1S/C14H16BrN3O2/c1-16-13(14(20)17-4-5-19)6-9-8-18-12-3-2-10(15)7-11(9)12/h2-3,7-8,18-19H,4-6H2,1H3,(H,17,20)/b16-13-
InChIKeyVQORIIIVGXPWQX-SSZFMOIBSA-N
XLogP1.65
TPSA77.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-(5-bromo-1H-indol-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyliminopropanamide
CID 59324193
(2Z)-3-(5-bromo-1H-indol-3-yl)-2-hydroxyimino-N-(2-methylsulfanylethyl)propanamide
CID 90898697
(2E)-3-(5-bromo-1H-indol-3-yl)-N-[5-[5-[[(2E)-3-(5-bromo-1H-indol-3-yl)-2-trityloxyiminopropanoyl]amino]pentyldisulfanyl]pentyl]-2-trityloxyiminopropanamide
CID 71512865
3-(5-bromo-1H-indol-3-yl)-2-imino-N-(5-sulfanylpentyl)propanamide
CID 89233953
2-(6-bromo-1H-indol-3-yl)-N-[2-(6-bromo-1H-indol-3-yl)ethyl]-2-oxoacetamide
CID 118899491
1-(5-bromo-1H-indol-3-yl)-2-(methylamino)ethanone;ethane
CID 162765516
N-[3-[4-(3-aminopropoxy)butoxy]propyl]-2-(5-bromo-1H-indol-3-yl)acetamide
CID 20642760
N-[(5-bromo-1H-indol-3-yl)methyl]hydroxylamine
CID 82622001
(2E)-3-(5-bromo-1H-indol-3-yl)-2-phenylmethoxyiminopropanoic acid
CID 71513099
3-(5-bromo-1H-indol-3-yl)-2-methylpropanoic acid
CID 58572126
2-(5-bromo-1H-indol-3-yl)acetic acid;2-(5-bromo-1H-indol-3-yl)-2-oxoacetic acid
CID 161121014
6-bromo-3-ethyl-1H-quinolin-4-one
CID 123462325

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1H-indol-3-yl)-N-(2-hydroxyethyl)-2-methyliminopropanamide?
The IUPAC name of 3-(5-bromo-1H-indol-3-yl)-N-(2-hydroxyethyl)-2-methyliminopropanamide (CID 59324195) is 3-(5-bromo-1H-indol-3-yl)-N-(2-hydroxyethyl)-2-methyliminopropanamide.
What is the SMILES notation for 3-(5-bromo-1H-indol-3-yl)-N-(2-hydroxyethyl)-2-methyliminopropanamide?
The canonical SMILES for 3-(5-bromo-1H-indol-3-yl)-N-(2-hydroxyethyl)-2-methyliminopropanamide is C/N=C(/Cc1c[nH]c2ccc(Br)cc12)C(=O)NCCO.
What is the InChIKey of 3-(5-bromo-1H-indol-3-yl)-N-(2-hydroxyethyl)-2-methyliminopropanamide?
The InChIKey is VQORIIIVGXPWQX-SSZFMOIBSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-16-13(14(20)17-4-5-19)6-9-8-18-12-3-2-10(15)7-11(9)12/h2-3,7-8,18-19H,4-6H2,1H3,(H,17,20)/b16-13-.
What are the key properties of 3-(5-bromo-1H-indol-3-yl)-N-(2-hydroxyethyl)-2-methyliminopropanamide?
3-(5-bromo-1H-indol-3-yl)-N-(2-hydroxyethyl)-2-methyliminopropanamide has a molecular weight of 338.21 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1H-indol-3-yl)-N-(2-hydroxyethyl)-2-methyliminopropanamide is sourced from PubChem (CID 59324195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).