N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-phenoxypropanamide

C17H14BrN3O3 — CID 4090679

IUPACN-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)/N=N/c1c(O)[nH]c2ccc(Br)cc12
InChIInChI=1S/C17H14BrN3O3/c1-10(24-12-5-3-2-4-6-12)16(22)21-20-15-13-9-11(18)7-8-14(13)19-17(15)23/h2-10,19,23H,1H3/b21-20+
InChIKeyDJUPBMMFTVNSHA-QZQOTICOSA-N
MW388.22 g/mol
LogP4.71
Rot. Bonds4

About N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-phenoxypropanamide

N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-phenoxypropanamide (PubChem CID 4090679) has the molecular formula C17H14BrN3O3 and a molecular weight of 388.22 g/mol. Its IUPAC name is N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-phenoxypropanamide
PubChem CID4090679
Molecular FormulaC17H14BrN3O3
Molecular Weight388.22 g/mol
Exact Mass387.02
IUPAC NameN-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)/N=N/c1c(O)[nH]c2ccc(Br)cc12
InChIInChI=1S/C17H14BrN3O3/c1-10(24-12-5-3-2-4-6-12)16(22)21-20-15-13-9-11(18)7-8-14(13)19-17(15)23/h2-10,19,23H,1H3/b21-20+
InChIKeyDJUPBMMFTVNSHA-QZQOTICOSA-N
XLogP4.71
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.22
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N'-[(3E)-5-Bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methoxycarbohydrazide
CID 740762
N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4558707
N-[(5-bromo-2-hydroxy-4-methyl-1H-indol-3-yl)imino]-2-(4-hydroxyphenyl)acetamide
CID 136026173
(3-Bromo-4-hydroxy-phenyl)-acetic acid [(3Z)-2-oxo-1,2-dihydro-indol-3-ylidene]-hydrazide
CID 136086947
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-hydroxyphenyl)acetamide
CID 136086960
1-[(5-Bromo-2-oxoindol-3-yl)amino]-3-(2-methoxyphenyl)thiourea
CID 1884965
5-bromo-1H-indole-2,3-dione 3-[(2-methoxyphenyl)hydrazone]
CID 2841404
3-[(2E)-2-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazino]-N-[2-(4-hydroxyphenyl)-1,1-dimethylethyl]-3-oxopropanamide
CID 4542007
N'-[(3E)-5-Nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-2-phenoxypropanehydrazide
CID 4633647
[1-(4-Methoxy-phenyl)-meth-(E)-ylideneaminooxy]-acetic acid [5-bromo-2-oxo-1,2-dihydro-indol-(3E)-ylidene]-hydrazide
CID 135433228
[1-(3,4-Dimethoxy-phenyl)-meth-(E)-ylideneaminooxy]-acetic acid [5-bromo-2-oxo-1,2-dihydro-indol-(3Z)-ylidene]-hydrazide
CID 135497931
(Z)-2-(((E)-(1-(4-methoxyphenyl)ethylidene)amino)oxy)-N'-(2-oxoindolin-3-ylidene)acetohydrazide
CID 135497958

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-phenoxypropanamide?
The IUPAC name of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-phenoxypropanamide (CID 4090679) is N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-phenoxypropanamide.
What is the SMILES notation for N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-phenoxypropanamide?
The canonical SMILES for N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)/N=N/c1c(O)[nH]c2ccc(Br)cc12.
What is the InChIKey of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-phenoxypropanamide?
The InChIKey is DJUPBMMFTVNSHA-QZQOTICOSA-N. The full InChI is InChI=1S/C17H14BrN3O3/c1-10(24-12-5-3-2-4-6-12)16(22)21-20-15-13-9-11(18)7-8-14(13)19-17(15)23/h2-10,19,23H,1H3/b21-20+.
What are the key properties of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-phenoxypropanamide?
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-phenoxypropanamide has a molecular weight of 388.22 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-phenoxypropanamide is sourced from PubChem (CID 4090679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).