4-fluoro-N'-(4-phenoxybutanoyl)benzohydrazide

C17H17FN2O3 — CID 7732785

IUPAC4-fluoro-N'-(4-phenoxybutanoyl)benzohydrazide
SMILESO=C(CCCOc1ccccc1)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O3/c18-14-10-8-13(9-11-14)17(22)20-19-16(21)7-4-12-23-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12H2,(H,19,21)(H,20,22)
InChIKeyBXDDCVDPOPDEOC-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.45
Rot. Bonds6

About 4-fluoro-N'-(4-phenoxybutanoyl)benzohydrazide

4-fluoro-N'-(4-phenoxybutanoyl)benzohydrazide (PubChem CID 7732785) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is 4-fluoro-N'-(4-phenoxybutanoyl)benzohydrazide.

Molecular Properties

Compound Name4-fluoro-N'-(4-phenoxybutanoyl)benzohydrazide
PubChem CID7732785
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name4-fluoro-N'-(4-phenoxybutanoyl)benzohydrazide
SMILESO=C(CCCOc1ccccc1)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O3/c18-14-10-8-13(9-11-14)17(22)20-19-16(21)7-4-12-23-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12H2,(H,19,21)(H,20,22)
InChIKeyBXDDCVDPOPDEOC-UHFFFAOYSA-N
XLogP2.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.45
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

4-fluoro-N'-[4-(3-methylphenoxy)butanoyl]benzohydrazide
CID 4795371
4-(diethylamino)-N'-(4-phenoxybutanoyl)benzohydrazide
CID 9156259
N'-butanoyl-4-(2-phenoxyethoxy)benzohydrazide
CID 17340326
N-[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 7779544
4-(2-phenoxyethoxy)-N'-(3-phenylpropanoyl)benzohydrazide
CID 4952848
N'-[4-(3-bromophenoxy)butanoyl]benzohydrazide
CID 7969162
N'-acetyl-4-phenoxybutanehydrazide
CID 30905746
4-(4-fluorophenoxy)-N-phenylbutanamide
CID 60723715
4-(2-phenoxyethoxy)-N'-(2-phenylacetyl)benzohydrazide
CID 4952867
4-(4-fluorophenoxy)-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide
CID 46632974
4-pentoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 4935241
N'-[4-(4-acetylphenoxy)butanoyl]-4-methylbenzohydrazide
CID 2091478

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N'-(4-phenoxybutanoyl)benzohydrazide?
The IUPAC name of 4-fluoro-N'-(4-phenoxybutanoyl)benzohydrazide (CID 7732785) is 4-fluoro-N'-(4-phenoxybutanoyl)benzohydrazide.
What is the SMILES notation for 4-fluoro-N'-(4-phenoxybutanoyl)benzohydrazide?
The canonical SMILES for 4-fluoro-N'-(4-phenoxybutanoyl)benzohydrazide is O=C(CCCOc1ccccc1)NNC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N'-(4-phenoxybutanoyl)benzohydrazide?
The InChIKey is BXDDCVDPOPDEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c18-14-10-8-13(9-11-14)17(22)20-19-16(21)7-4-12-23-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12H2,(H,19,21)(H,20,22).
What are the key properties of 4-fluoro-N'-(4-phenoxybutanoyl)benzohydrazide?
4-fluoro-N'-(4-phenoxybutanoyl)benzohydrazide has a molecular weight of 316.33 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N'-(4-phenoxybutanoyl)benzohydrazide is sourced from PubChem (CID 7732785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).