5-bromo-N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-2-hydroxybenzamide

C18H13Br2N3O3 — CID 1098357

IUPAC5-bromo-N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-2-hydroxybenzamide
SMILESC=CCn1c(O)c(/N=N/C(=O)c2cc(Br)ccc2O)c2cc(Br)ccc21
InChIInChI=1S/C18H13Br2N3O3/c1-2-7-23-14-5-3-10(19)8-12(14)16(18(23)26)21-22-17(25)13-9-11(20)4-6-15(13)24/h2-6,8-9,24,26H,1,7H2/b22-21+
InChIKeyOLLSRSNSVQJEHV-QURGRASLSA-N
MW479.13 g/mol
LogP5.69
Rot. Bonds4

About 5-bromo-N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-2-hydroxybenzamide

5-bromo-N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-2-hydroxybenzamide (PubChem CID 1098357) has the molecular formula C18H13Br2N3O3 and a molecular weight of 479.13 g/mol. Its IUPAC name is 5-bromo-N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-2-hydroxybenzamide
PubChem CID1098357
Molecular FormulaC18H13Br2N3O3
Molecular Weight479.13 g/mol
Exact Mass476.93
IUPAC Name5-bromo-N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-2-hydroxybenzamide
SMILESC=CCn1c(O)c(/N=N/C(=O)c2cc(Br)ccc2O)c2cc(Br)ccc21
InChIInChI=1S/C18H13Br2N3O3/c1-2-7-23-14-5-3-10(19)8-12(14)16(18(23)26)21-22-17(25)13-9-11(20)4-6-15(13)24/h2-6,8-9,24,26H,1,7H2/b22-21+
InChIKeyOLLSRSNSVQJEHV-QURGRASLSA-N
XLogP5.69
TPSA87.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.13
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-2-methoxybenzamide
CID 3838803
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CID 4503174
N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 135894651
5-bromo-N-(5-chloro-2-hydroxy-1-methylindol-3-yl)imino-2-hydroxybenzamide
CID 135927066
1-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-3-(4-methylphenyl)thiourea
CID 4253442
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CID 3716669
1-N,4-N-bis[(2-hydroxy-1-prop-2-enylindol-3-yl)imino]benzene-1,4-dicarboxamide
CID 1048805
N-(5-bromo-2-hydroxy-1-prop-2-ynylindol-3-yl)imino-2-chlorobenzamide
CID 5128171
N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-chlorobenzamide
CID 135726463
N-[5-bromo-1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]imino-2-methoxybenzamide
CID 3366985
N-[5-bromo-2-hydroxy-1-[(4-methylpiperazin-1-yl)methyl]indol-3-yl]iminobenzamide
CID 1366014
N-(1-benzyl-5-bromo-2-hydroxyindol-3-yl)imino-3-methylbenzamide
CID 3984836

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-2-hydroxybenzamide (CID 1098357) is 5-bromo-N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-2-hydroxybenzamide is C=CCn1c(O)c(/N=N/C(=O)c2cc(Br)ccc2O)c2cc(Br)ccc21.
What is the InChIKey of 5-bromo-N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-2-hydroxybenzamide?
The InChIKey is OLLSRSNSVQJEHV-QURGRASLSA-N. The full InChI is InChI=1S/C18H13Br2N3O3/c1-2-7-23-14-5-3-10(19)8-12(14)16(18(23)26)21-22-17(25)13-9-11(20)4-6-15(13)24/h2-6,8-9,24,26H,1,7H2/b22-21+.
What are the key properties of 5-bromo-N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-2-hydroxybenzamide?
5-bromo-N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-2-hydroxybenzamide has a molecular weight of 479.13 g/mol, XLogP of 5.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-2-hydroxybenzamide is sourced from PubChem (CID 1098357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).