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

C15H10BrN3O3 — CID 1381490

IUPACN-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-hydroxybenzamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccc(Br)cc12)c1cccc(O)c1
InChIInChI=1S/C15H10BrN3O3/c16-9-4-5-12-11(7-9)13(15(22)17-12)18-19-14(21)8-2-1-3-10(20)6-8/h1-7,17,20,22H/b19-18+
InChIKeyOBKLVIDQUITYFA-VHEBQXMUSA-N
MW360.17 g/mol
LogP4.27
Rot. Bonds2

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

N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-hydroxybenzamide (PubChem CID 1381490) has the molecular formula C15H10BrN3O3 and a molecular weight of 360.17 g/mol. Its IUPAC name is N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-hydroxybenzamide
PubChem CID1381490
Molecular FormulaC15H10BrN3O3
Molecular Weight360.17 g/mol
Exact Mass358.99
IUPAC NameN-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-hydroxybenzamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccc(Br)cc12)c1cccc(O)c1
InChIInChI=1S/C15H10BrN3O3/c16-9-4-5-12-11(7-9)13(15(22)17-12)18-19-14(21)8-2-1-3-10(20)6-8/h1-7,17,20,22H/b19-18+
InChIKeyOBKLVIDQUITYFA-VHEBQXMUSA-N
XLogP4.27
TPSA98.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.17
LogP ≤ 54.27
H-Bond Donors ≤ 53
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

3-bromo-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 1034759
3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 749764
4-amino-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 1368694
3-chloro-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 135784571
N,N'-bis[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]decanediamide
CID 4014458
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-4-hydroxy-2-oxo-4-phenylbut-3-enamide
CID 1269447
2-N,4-N-bis[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3,5-dimethyl-1H-pyrrole-2,4-dicarboxamide
CID 137226370
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-4-[(3-methoxyphenyl)carbamoylamino]benzamide
CID 155534994
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 1356481
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-4-[[(2S,3R)-3-[4-[(5-bromo-2-hydroxy-1H-indol-3-yl)iminocarbamoyl]phenoxy]-1,4-dioxan-2-yl]oxy]benzamide
CID 136911774
N-[(2-hydroxy-1H-indol-3-yl)imino]-3-methylbenzamide
CID 749780
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 137172327

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-hydroxybenzamide?
The IUPAC name of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-hydroxybenzamide (CID 1381490) is N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-hydroxybenzamide.
What is the SMILES notation for N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-hydroxybenzamide?
The canonical SMILES for N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-hydroxybenzamide is O=C(/N=N/c1c(O)[nH]c2ccc(Br)cc12)c1cccc(O)c1.
What is the InChIKey of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-hydroxybenzamide?
The InChIKey is OBKLVIDQUITYFA-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H10BrN3O3/c16-9-4-5-12-11(7-9)13(15(22)17-12)18-19-14(21)8-2-1-3-10(20)6-8/h1-7,17,20,22H/b19-18+.
What are the key properties of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-hydroxybenzamide?
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-hydroxybenzamide has a molecular weight of 360.17 g/mol, XLogP of 4.27, 2 rotatable bonds, 3 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]-3-hydroxybenzamide is sourced from PubChem (CID 1381490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).