N'-[4-(4-bromophenoxy)butanoyl]-2-fluorobenzohydrazide

C17H16BrFN2O3 — CID 2491312

IUPACN'-[4-(4-bromophenoxy)butanoyl]-2-fluorobenzohydrazide
SMILESO=C(CCCOc1ccc(Br)cc1)NNC(=O)c1ccccc1F
InChIInChI=1S/C17H16BrFN2O3/c18-12-7-9-13(10-8-12)24-11-3-6-16(22)20-21-17(23)14-4-1-2-5-15(14)19/h1-2,4-5,7-10H,3,6,11H2,(H,20,22)(H,21,23)
InChIKeyDEUBJFCRZDHDDD-UHFFFAOYSA-N
MW395.23 g/mol
LogP3.21
Rot. Bonds6

About N'-[4-(4-bromophenoxy)butanoyl]-2-fluorobenzohydrazide

N'-[4-(4-bromophenoxy)butanoyl]-2-fluorobenzohydrazide (PubChem CID 2491312) has the molecular formula C17H16BrFN2O3 and a molecular weight of 395.23 g/mol. Its IUPAC name is N'-[4-(4-bromophenoxy)butanoyl]-2-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[4-(4-bromophenoxy)butanoyl]-2-fluorobenzohydrazide
PubChem CID2491312
Molecular FormulaC17H16BrFN2O3
Molecular Weight395.23 g/mol
Exact Mass394.03
IUPAC NameN'-[4-(4-bromophenoxy)butanoyl]-2-fluorobenzohydrazide
SMILESO=C(CCCOc1ccc(Br)cc1)NNC(=O)c1ccccc1F
InChIInChI=1S/C17H16BrFN2O3/c18-12-7-9-13(10-8-12)24-11-3-6-16(22)20-21-17(23)14-4-1-2-5-15(14)19/h1-2,4-5,7-10H,3,6,11H2,(H,20,22)(H,21,23)
InChIKeyDEUBJFCRZDHDDD-UHFFFAOYSA-N
XLogP3.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.23
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-(4-bromophenoxy)butanoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 9468202
N'-[3-(3,5-dimethylphenoxy)propanoyl]-2-fluorobenzohydrazide
CID 134060211
2-fluoro-N'-[2-(4-iodophenoxy)acetyl]benzohydrazide
CID 55332310
2-fluoro-N'-(4-pentoxybenzoyl)benzohydrazide
CID 9402566
N'-[2-(4-bromophenoxy)acetyl]-3-(2-fluorophenoxy)propanehydrazide
CID 78775232
[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-fluorobenzoate
CID 2511431
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate
CID 42966217
4-fluoro-N'-(4-phenoxybutanoyl)benzohydrazide
CID 7732785
N'-[(2S)-2-(4-bromophenoxy)propanoyl]-2-fluorobenzohydrazide
CID 9401790
4-bromo-N'-[3-(4-chlorophenoxy)propanoyl]benzohydrazide
CID 78876899
N'-[2-(4-bromophenoxy)acetyl]-2-(2-fluorophenyl)acetohydrazide
CID 7809057
N-[3-[2-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-oxopropyl]-2-fluorobenzamide
CID 5138307

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-bromophenoxy)butanoyl]-2-fluorobenzohydrazide?
The IUPAC name of N'-[4-(4-bromophenoxy)butanoyl]-2-fluorobenzohydrazide (CID 2491312) is N'-[4-(4-bromophenoxy)butanoyl]-2-fluorobenzohydrazide.
What is the SMILES notation for N'-[4-(4-bromophenoxy)butanoyl]-2-fluorobenzohydrazide?
The canonical SMILES for N'-[4-(4-bromophenoxy)butanoyl]-2-fluorobenzohydrazide is O=C(CCCOc1ccc(Br)cc1)NNC(=O)c1ccccc1F.
What is the InChIKey of N'-[4-(4-bromophenoxy)butanoyl]-2-fluorobenzohydrazide?
The InChIKey is DEUBJFCRZDHDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN2O3/c18-12-7-9-13(10-8-12)24-11-3-6-16(22)20-21-17(23)14-4-1-2-5-15(14)19/h1-2,4-5,7-10H,3,6,11H2,(H,20,22)(H,21,23).
What are the key properties of N'-[4-(4-bromophenoxy)butanoyl]-2-fluorobenzohydrazide?
N'-[4-(4-bromophenoxy)butanoyl]-2-fluorobenzohydrazide has a molecular weight of 395.23 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-bromophenoxy)butanoyl]-2-fluorobenzohydrazide is sourced from PubChem (CID 2491312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).