3-bromo-N-[2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide

C16H14BrN3O3 — CID 136806666

IUPAC3-bromo-N-[2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(Br)c1)NN=Cc1ccccc1O
InChIInChI=1S/C16H14BrN3O3/c17-13-6-3-5-11(8-13)16(23)18-10-15(22)20-19-9-12-4-1-2-7-14(12)21/h1-9,21H,10H2,(H,18,23)(H,20,22)
InChIKeyQLDWMKMEIFMPKZ-UHFFFAOYSA-N
MW376.21 g/mol
LogP2.03
Rot. Bonds5

About 3-bromo-N-[2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide

3-bromo-N-[2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 136806666) has the molecular formula C16H14BrN3O3 and a molecular weight of 376.21 g/mol. Its IUPAC name is 3-bromo-N-[2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
PubChem CID136806666
Molecular FormulaC16H14BrN3O3
Molecular Weight376.21 g/mol
Exact Mass375.02
IUPAC Name3-bromo-N-[2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(Br)c1)NN=Cc1ccccc1O
InChIInChI=1S/C16H14BrN3O3/c17-13-6-3-5-11(8-13)16(23)18-10-15(22)20-19-9-12-4-1-2-7-14(12)21/h1-9,21H,10H2,(H,18,23)(H,20,22)
InChIKeyQLDWMKMEIFMPKZ-UHFFFAOYSA-N
XLogP2.03
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.21
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide (CID 136806666) is 3-bromo-N-[2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is O=C(CNC(=O)c1cccc(Br)c1)NN=Cc1ccccc1O.
What is the InChIKey of 3-bromo-N-[2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is QLDWMKMEIFMPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O3/c17-13-6-3-5-11(8-13)16(23)18-10-15(22)20-19-9-12-4-1-2-7-14(12)21/h1-9,21H,10H2,(H,18,23)(H,20,22).
What are the key properties of 3-bromo-N-[2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
3-bromo-N-[2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 376.21 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 136806666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).