2-fluoro-N'-(4-pentoxybenzoyl)benzohydrazide

C19H21FN2O3 — CID 9402566

IUPAC2-fluoro-N'-(4-pentoxybenzoyl)benzohydrazide
SMILESCCCCCOc1ccc(C(=O)NNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C19H21FN2O3/c1-2-3-6-13-25-15-11-9-14(10-12-15)18(23)21-22-19(24)16-7-4-5-8-17(16)20/h4-5,7-12H,2-3,6,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyYXXQRBRESJLPQC-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.47
Rot. Bonds7

About 2-fluoro-N'-(4-pentoxybenzoyl)benzohydrazide

2-fluoro-N'-(4-pentoxybenzoyl)benzohydrazide (PubChem CID 9402566) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-fluoro-N'-(4-pentoxybenzoyl)benzohydrazide.

Molecular Properties

Compound Name2-fluoro-N'-(4-pentoxybenzoyl)benzohydrazide
PubChem CID9402566
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name2-fluoro-N'-(4-pentoxybenzoyl)benzohydrazide
SMILESCCCCCOc1ccc(C(=O)NNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C19H21FN2O3/c1-2-3-6-13-25-15-11-9-14(10-12-15)18(23)21-22-19(24)16-7-4-5-8-17(16)20/h4-5,7-12H,2-3,6,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyYXXQRBRESJLPQC-UHFFFAOYSA-N
XLogP3.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.47
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

2-fluoro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 24540215
N'-(4-hexoxybenzoyl)-2-hydroxybenzohydrazide
CID 5223816
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate
CID 42966217
2-bromo-N'-(4-heptoxybenzoyl)benzohydrazide
CID 4950819
2-methoxy-N'-(4-octoxybenzoyl)benzohydrazide
CID 139600143
N'-(4-hexadecoxybenzoyl)naphthalene-1-carbohydrazide
CID 162371332
4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952932
4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
CID 102344080
4-pentoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 4935241
2-(2-ethoxyethoxy)-N'-(4-hexoxybenzoyl)benzohydrazide
CID 17122913
N-[(2-fluorophenyl)methyl]-4-pentoxybenzamide
CID 17068474
N'-(4-butoxybenzoyl)-4-phenylbenzohydrazide
CID 3096307

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-(4-pentoxybenzoyl)benzohydrazide?
The IUPAC name of 2-fluoro-N'-(4-pentoxybenzoyl)benzohydrazide (CID 9402566) is 2-fluoro-N'-(4-pentoxybenzoyl)benzohydrazide.
What is the SMILES notation for 2-fluoro-N'-(4-pentoxybenzoyl)benzohydrazide?
The canonical SMILES for 2-fluoro-N'-(4-pentoxybenzoyl)benzohydrazide is CCCCCOc1ccc(C(=O)NNC(=O)c2ccccc2F)cc1.
What is the InChIKey of 2-fluoro-N'-(4-pentoxybenzoyl)benzohydrazide?
The InChIKey is YXXQRBRESJLPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-2-3-6-13-25-15-11-9-14(10-12-15)18(23)21-22-19(24)16-7-4-5-8-17(16)20/h4-5,7-12H,2-3,6,13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 2-fluoro-N'-(4-pentoxybenzoyl)benzohydrazide?
2-fluoro-N'-(4-pentoxybenzoyl)benzohydrazide has a molecular weight of 344.39 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-(4-pentoxybenzoyl)benzohydrazide is sourced from PubChem (CID 9402566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).