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

C16H14BrFN2O3 — CID 9492712

IUPAC5-bromo-N'-(4-ethoxybenzoyl)-2-fluorobenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2F)cc1
InChIInChI=1S/C16H14BrFN2O3/c1-2-23-12-6-3-10(4-7-12)15(21)19-20-16(22)13-9-11(17)5-8-14(13)18/h3-9H,2H2,1H3,(H,19,21)(H,20,22)
InChIKeyGLKLCRZYNOJXRP-UHFFFAOYSA-N
MW381.20 g/mol
LogP3.06
Rot. Bonds4

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

5-bromo-N'-(4-ethoxybenzoyl)-2-fluorobenzohydrazide (PubChem CID 9492712) has the molecular formula C16H14BrFN2O3 and a molecular weight of 381.20 g/mol. Its IUPAC name is 5-bromo-N'-(4-ethoxybenzoyl)-2-fluorobenzohydrazide.

Molecular Properties

Compound Name5-bromo-N'-(4-ethoxybenzoyl)-2-fluorobenzohydrazide
PubChem CID9492712
Molecular FormulaC16H14BrFN2O3
Molecular Weight381.20 g/mol
Exact Mass380.02
IUPAC Name5-bromo-N'-(4-ethoxybenzoyl)-2-fluorobenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2F)cc1
InChIInChI=1S/C16H14BrFN2O3/c1-2-23-12-6-3-10(4-7-12)15(21)19-20-16(22)13-9-11(17)5-8-14(13)18/h3-9H,2H2,1H3,(H,19,21)(H,20,22)
InChIKeyGLKLCRZYNOJXRP-UHFFFAOYSA-N
XLogP3.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.20
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-ethoxybenzoyl)-2,5-difluorobenzohydrazide
CID 30485626
5-chloro-N'-(4-ethoxybenzoyl)-2-fluorobenzohydrazide
CID 9086466
5-bromo-N'-(4-ethoxybenzoyl)-2-hydroxybenzohydrazide
CID 27163290
N'-(4-ethoxybenzoyl)-2,4-difluorobenzohydrazide
CID 8915144
5-bromo-N'-[2-(3,4-dimethylphenoxy)acetyl]-2-fluorobenzohydrazide
CID 26846108
N'-(4-ethoxybenzoyl)-2,4-dimethylbenzohydrazide
CID 7600016
N'-(5-chloro-2-fluorobenzoyl)-3,4,5-triethoxybenzohydrazide
CID 26586710
N'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide
CID 7979581
3-bromo-N'-(4-ethoxybenzoyl)-4-methoxybenzohydrazide
CID 4948726
2,5-dichloro-N'-(4-ethoxybenzoyl)thiophene-3-carbohydrazide
CID 26767393
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301
2-bromo-N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-5-methoxybenzohydrazide
CID 2461548

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-(4-ethoxybenzoyl)-2-fluorobenzohydrazide?
The IUPAC name of 5-bromo-N'-(4-ethoxybenzoyl)-2-fluorobenzohydrazide (CID 9492712) is 5-bromo-N'-(4-ethoxybenzoyl)-2-fluorobenzohydrazide.
What is the SMILES notation for 5-bromo-N'-(4-ethoxybenzoyl)-2-fluorobenzohydrazide?
The canonical SMILES for 5-bromo-N'-(4-ethoxybenzoyl)-2-fluorobenzohydrazide is CCOc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2F)cc1.
What is the InChIKey of 5-bromo-N'-(4-ethoxybenzoyl)-2-fluorobenzohydrazide?
The InChIKey is GLKLCRZYNOJXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2O3/c1-2-23-12-6-3-10(4-7-12)15(21)19-20-16(22)13-9-11(17)5-8-14(13)18/h3-9H,2H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 5-bromo-N'-(4-ethoxybenzoyl)-2-fluorobenzohydrazide?
5-bromo-N'-(4-ethoxybenzoyl)-2-fluorobenzohydrazide has a molecular weight of 381.20 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-(4-ethoxybenzoyl)-2-fluorobenzohydrazide is sourced from PubChem (CID 9492712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).