5-bromo-N'-(4-ethoxybenzoyl)-2-hydroxybenzohydrazide

C16H15BrN2O4 — CID 27163290

IUPAC5-bromo-N'-(4-ethoxybenzoyl)-2-hydroxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2O)cc1
InChIInChI=1S/C16H15BrN2O4/c1-2-23-12-6-3-10(4-7-12)15(21)18-19-16(22)13-9-11(17)5-8-14(13)20/h3-9,20H,2H2,1H3,(H,18,21)(H,19,22)
InChIKeyROCPZMGZJGTHOA-UHFFFAOYSA-N
MW379.21 g/mol
LogP2.63
Rot. Bonds4

About 5-bromo-N'-(4-ethoxybenzoyl)-2-hydroxybenzohydrazide

5-bromo-N'-(4-ethoxybenzoyl)-2-hydroxybenzohydrazide (PubChem CID 27163290) has the molecular formula C16H15BrN2O4 and a molecular weight of 379.21 g/mol. Its IUPAC name is 5-bromo-N'-(4-ethoxybenzoyl)-2-hydroxybenzohydrazide.

Molecular Properties

Compound Name5-bromo-N'-(4-ethoxybenzoyl)-2-hydroxybenzohydrazide
PubChem CID27163290
Molecular FormulaC16H15BrN2O4
Molecular Weight379.21 g/mol
Exact Mass378.02
IUPAC Name5-bromo-N'-(4-ethoxybenzoyl)-2-hydroxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2O)cc1
InChIInChI=1S/C16H15BrN2O4/c1-2-23-12-6-3-10(4-7-12)15(21)18-19-16(22)13-9-11(17)5-8-14(13)20/h3-9,20H,2H2,1H3,(H,18,21)(H,19,22)
InChIKeyROCPZMGZJGTHOA-UHFFFAOYSA-N
XLogP2.63
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.21
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N'-(4-ethoxybenzoyl)-2-fluorobenzohydrazide
CID 9492712
N'-(4-ethoxybenzoyl)-2,4-dimethylbenzohydrazide
CID 7600016
4-ethoxy-N'-(4-ethoxy-2-hydroxybenzoyl)-2-hydroxybenzohydrazide
CID 20557201
N'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide
CID 7979581
N'-(4-ethoxybenzoyl)-2,5-difluorobenzohydrazide
CID 30485626
2,5-dichloro-N'-(4-ethoxybenzoyl)thiophene-3-carbohydrazide
CID 26767393
3-bromo-N'-(4-ethoxybenzoyl)-4-methoxybenzohydrazide
CID 4948726
5-chloro-N'-(4-ethoxybenzoyl)-2-fluorobenzohydrazide
CID 9086466
N'-(4-ethoxybenzoyl)-2,4-difluorobenzohydrazide
CID 8915144
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301
2-bromo-N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-5-methoxybenzohydrazide
CID 2461548
N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-4-ethoxybenzamide
CID 3526024

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-(4-ethoxybenzoyl)-2-hydroxybenzohydrazide?
The IUPAC name of 5-bromo-N'-(4-ethoxybenzoyl)-2-hydroxybenzohydrazide (CID 27163290) is 5-bromo-N'-(4-ethoxybenzoyl)-2-hydroxybenzohydrazide.
What is the SMILES notation for 5-bromo-N'-(4-ethoxybenzoyl)-2-hydroxybenzohydrazide?
The canonical SMILES for 5-bromo-N'-(4-ethoxybenzoyl)-2-hydroxybenzohydrazide is CCOc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2O)cc1.
What is the InChIKey of 5-bromo-N'-(4-ethoxybenzoyl)-2-hydroxybenzohydrazide?
The InChIKey is ROCPZMGZJGTHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O4/c1-2-23-12-6-3-10(4-7-12)15(21)18-19-16(22)13-9-11(17)5-8-14(13)20/h3-9,20H,2H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 5-bromo-N'-(4-ethoxybenzoyl)-2-hydroxybenzohydrazide?
5-bromo-N'-(4-ethoxybenzoyl)-2-hydroxybenzohydrazide has a molecular weight of 379.21 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-(4-ethoxybenzoyl)-2-hydroxybenzohydrazide is sourced from PubChem (CID 27163290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).