N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide

C16H14BrN3O3 — CID 135401388

IUPACN-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C16H14BrN3O3/c17-13-6-7-14(21)12(8-13)9-19-20-15(22)10-18-16(23)11-4-2-1-3-5-11/h1-9,21H,10H2,(H,18,23)(H,20,22)/b19-9+
InChIKeyVVAUYPRMDCDXCW-DJKKODMXSA-N
MW376.21 g/mol
LogP2.03
Rot. Bonds5

About N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide

N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 135401388) has the molecular formula C16H14BrN3O3 and a molecular weight of 376.21 g/mol. Its IUPAC name is N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
PubChem CID135401388
Molecular FormulaC16H14BrN3O3
Molecular Weight376.21 g/mol
Exact Mass375.02
IUPAC NameN-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C16H14BrN3O3/c17-13-6-7-14(21)12(8-13)9-19-20-15(22)10-18-16(23)11-4-2-1-3-5-11/h1-9,21H,10H2,(H,18,23)(H,20,22)/b19-9+
InChIKeyVVAUYPRMDCDXCW-DJKKODMXSA-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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Related Compounds

(E)-4-bromo-N'-(2-hydroxybenzylidene)benzohydrazide
CID 135412162
3-bromo-N'-(2-hydroxybenzylidene)benzohydrazide
CID 135641592
N'-(5-Bromo-2-hydroxybenzylidene)-4-hydroxybenzohydrazide
CID 135558647
(E)-N-(2-(2-(2-(benzyloxy)-5-bromobenzylidene)hydrazinyl)-2-oxoethyl)-3-fluorobenzamide
CID 6882731
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]benzohydrazide
CID 135455465
5-Bromo-2-hydroxy-N'-(2-hydroxybenzylidene)benzohydrazide
CID 135419609
N'-(5-bromo-2-hydroxybenzylidene)-4-methylbenzohydrazide
CID 135604313
N'-(1-benzylpiperidin-4-ylidene)-5-bromo-2-hydroxybenzohydrazide
CID 4661898
N-[1-(2-Benzyloxy-5-bromo-phenyl)-meth-(E)-ylidene-hydrazinocarbonylmethyl]-2-fluoro-benzamide
CID 9634278
2-bromo-N-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 135451270
N-(1-{N'-[(E)-(4-Hydroxyphenyl)methylidene]hydrazinecarbonyl}ethyl)benzamide
CID 135472757
2-bromo-N-{2-[(2E)-2-(5-bromo-2-hydroxybenzylidene)hydrazino]-2-oxoethyl}benzamide
CID 135472783

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide (CID 135401388) is N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1)N/N=C/c1cc(Br)ccc1O.
What is the InChIKey of N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is VVAUYPRMDCDXCW-DJKKODMXSA-N. The full InChI is InChI=1S/C16H14BrN3O3/c17-13-6-7-14(21)12(8-13)9-19-20-15(22)10-18-16(23)11-4-2-1-3-5-11/h1-9,21H,10H2,(H,18,23)(H,20,22)/b19-9+.
What are the key properties of N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
N-[2-[(2E)-2-[(5-bromo-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 N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 135401388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).