5-bromo-2-hydroxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide

C16H12BrN3O2 — CID 136711415

IUPAC5-bromo-2-hydroxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
SMILESO=C(N/N=C\c1c[nH]c2ccccc12)c1cc(Br)ccc1O
InChIInChI=1S/C16H12BrN3O2/c17-11-5-6-15(21)13(7-11)16(22)20-19-9-10-8-18-14-4-2-1-3-12(10)14/h1-9,18,21H,(H,20,22)/b19-9-
InChIKeyVZMJMBVAVADAHD-OCKHKDLRSA-N
MW358.20 g/mol
LogP3.40
Rot. Bonds3

About 5-bromo-2-hydroxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide

5-bromo-2-hydroxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide (PubChem CID 136711415) has the molecular formula C16H12BrN3O2 and a molecular weight of 358.20 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
PubChem CID136711415
Molecular FormulaC16H12BrN3O2
Molecular Weight358.20 g/mol
Exact Mass357.01
IUPAC Name5-bromo-2-hydroxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
SMILESO=C(N/N=C\c1c[nH]c2ccccc12)c1cc(Br)ccc1O
InChIInChI=1S/C16H12BrN3O2/c17-11-5-6-15(21)13(7-11)16(22)20-19-9-10-8-18-14-4-2-1-3-12(10)14/h1-9,18,21H,(H,20,22)/b19-9-
InChIKeyVZMJMBVAVADAHD-OCKHKDLRSA-N
XLogP3.40
TPSA77.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 135541710
5-bromo-2-ethoxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136843563
5-bromo-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-propan-2-yloxybenzamide
CID 136843557
N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-chlorobenzamide
CID 136773544
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 136661289
3-N,5-N-bis[(E)-1H-indol-3-ylmethylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
CID 135606906
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
5-bromo-N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 762173
2-fluoro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135683096
3-[(3-bromobenzoyl)amino]-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136897265
3,5-dibromo-N-[(Z)-1H-indol-3-ylmethylideneamino]-4-methoxybenzamide
CID 136783661
N-(anthracen-9-ylmethylideneamino)-5-bromo-2-hydroxybenzamide
CID 71960210

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide (CID 136711415) is 5-bromo-2-hydroxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide is O=C(N/N=C\c1c[nH]c2ccccc12)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-2-hydroxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide?
The InChIKey is VZMJMBVAVADAHD-OCKHKDLRSA-N. The full InChI is InChI=1S/C16H12BrN3O2/c17-11-5-6-15(21)13(7-11)16(22)20-19-9-10-8-18-14-4-2-1-3-12(10)14/h1-9,18,21H,(H,20,22)/b19-9-.
What are the key properties of 5-bromo-2-hydroxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide?
5-bromo-2-hydroxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide has a molecular weight of 358.20 g/mol, XLogP of 3.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide is sourced from PubChem (CID 136711415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).