2-fluoro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide

C22H26FN3O4 — CID 24540215

IUPAC2-fluoro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)CNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C22H26FN3O4/c1-2-3-4-7-14-30-17-12-10-16(11-13-17)21(28)26-25-20(27)15-24-22(29)18-8-5-6-9-19(18)23/h5-6,8-13H,2-4,7,14-15H2,1H3,(H,24,29)(H,25,27)(H,26,28)
InChIKeyBWISQMDDXHNALR-UHFFFAOYSA-N
MW415.47 g/mol
LogP2.98
Rot. Bonds10

About 2-fluoro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide

2-fluoro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 24540215) has the molecular formula C22H26FN3O4 and a molecular weight of 415.47 g/mol. Its IUPAC name is 2-fluoro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide
PubChem CID24540215
Molecular FormulaC22H26FN3O4
Molecular Weight415.47 g/mol
Exact Mass415.19
IUPAC Name2-fluoro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)CNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C22H26FN3O4/c1-2-3-4-7-14-30-17-12-10-16(11-13-17)21(28)26-25-20(27)15-24-22(29)18-8-5-6-9-19(18)23/h5-6,8-13H,2-4,7,14-15H2,1H3,(H,24,29)(H,25,27)(H,26,28)
InChIKeyBWISQMDDXHNALR-UHFFFAOYSA-N
XLogP2.98
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2-fluoro-N'-(4-pentoxybenzoyl)benzohydrazide
CID 9402566
N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 27672476
[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]urea
CID 94496970
4-butoxy-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 7971592
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate
CID 42966217
octyl 2-[(2-fluorobenzoyl)amino]acetate
CID 6422546
heptadecyl 2-[(2-fluorobenzoyl)amino]acetate
CID 6422555
hexadecyl 2-[(2-fluorobenzoyl)amino]acetate
CID 6422554
N'-(4-hexoxybenzoyl)-2-hydroxybenzohydrazide
CID 5223816
4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952932
N-[4-[2-(4-hexoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide
CID 29264757
4-pentoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 4935241

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide (CID 24540215) is 2-fluoro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide is CCCCCCOc1ccc(C(=O)NNC(=O)CNC(=O)c2ccccc2F)cc1.
What is the InChIKey of 2-fluoro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is BWISQMDDXHNALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O4/c1-2-3-4-7-14-30-17-12-10-16(11-13-17)21(28)26-25-20(27)15-24-22(29)18-8-5-6-9-19(18)23/h5-6,8-13H,2-4,7,14-15H2,1H3,(H,24,29)(H,25,27)(H,26,28).
What are the key properties of 2-fluoro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide?
2-fluoro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 415.47 g/mol, XLogP of 2.98, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 24540215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).