2-fluoro-N'-[4-(phenoxymethyl)benzoyl]benzohydrazide

C21H17FN2O3 — CID 4875820

IUPAC2-fluoro-N'-[4-(phenoxymethyl)benzoyl]benzohydrazide
SMILESO=C(NNC(=O)c1ccccc1F)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C21H17FN2O3/c22-19-9-5-4-8-18(19)21(26)24-23-20(25)16-12-10-15(11-13-16)14-27-17-6-2-1-3-7-17/h1-13H,14H2,(H,23,25)(H,24,26)
InChIKeyANLMRWIMGVTHNE-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.48
Rot. Bonds5

About 2-fluoro-N'-[4-(phenoxymethyl)benzoyl]benzohydrazide

2-fluoro-N'-[4-(phenoxymethyl)benzoyl]benzohydrazide (PubChem CID 4875820) has the molecular formula C21H17FN2O3 and a molecular weight of 364.38 g/mol. Its IUPAC name is 2-fluoro-N'-[4-(phenoxymethyl)benzoyl]benzohydrazide.

Molecular Properties

Compound Name2-fluoro-N'-[4-(phenoxymethyl)benzoyl]benzohydrazide
PubChem CID4875820
Molecular FormulaC21H17FN2O3
Molecular Weight364.38 g/mol
Exact Mass364.12
IUPAC Name2-fluoro-N'-[4-(phenoxymethyl)benzoyl]benzohydrazide
SMILESO=C(NNC(=O)c1ccccc1F)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C21H17FN2O3/c22-19-9-5-4-8-18(19)21(26)24-23-20(25)16-12-10-15(11-13-16)14-27-17-6-2-1-3-7-17/h1-13H,14H2,(H,23,25)(H,24,26)
InChIKeyANLMRWIMGVTHNE-UHFFFAOYSA-N
XLogP3.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.48
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-[(2-bromophenoxy)methyl]benzoyl]-2-fluorobenzohydrazide
CID 17387628
N'-(2-fluorobenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 4795196
N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]-2-fluorobenzohydrazide
CID 18289024
2-chloro-N'-[4-[(4-chlorophenoxy)methyl]benzoyl]benzohydrazide
CID 24637056
N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 4880251
2-fluoro-N'-(4-pentoxybenzoyl)benzohydrazide
CID 9402566
2-[(4-chlorophenyl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide
CID 9402900
2-[[4-(phenoxymethyl)benzoyl]amino]benzamide
CID 924413
4-(phenoxymethyl)-N-phenylmethoxybenzamide
CID 41450965
4-[(4-ethoxyphenoxy)methyl]-N'-[2-(2-fluorophenyl)acetyl]benzohydrazide
CID 8502972
4-[(4-tert-butylphenoxy)methyl]-N-[1-(2-fluorophenyl)ethylideneamino]benzamide
CID 4240116
methyl 4-[[(4-phenylmethoxybenzoyl)amino]carbamoyl]benzoate
CID 17178415

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-[4-(phenoxymethyl)benzoyl]benzohydrazide?
The IUPAC name of 2-fluoro-N'-[4-(phenoxymethyl)benzoyl]benzohydrazide (CID 4875820) is 2-fluoro-N'-[4-(phenoxymethyl)benzoyl]benzohydrazide.
What is the SMILES notation for 2-fluoro-N'-[4-(phenoxymethyl)benzoyl]benzohydrazide?
The canonical SMILES for 2-fluoro-N'-[4-(phenoxymethyl)benzoyl]benzohydrazide is O=C(NNC(=O)c1ccccc1F)c1ccc(COc2ccccc2)cc1.
What is the InChIKey of 2-fluoro-N'-[4-(phenoxymethyl)benzoyl]benzohydrazide?
The InChIKey is ANLMRWIMGVTHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O3/c22-19-9-5-4-8-18(19)21(26)24-23-20(25)16-12-10-15(11-13-16)14-27-17-6-2-1-3-7-17/h1-13H,14H2,(H,23,25)(H,24,26).
What are the key properties of 2-fluoro-N'-[4-(phenoxymethyl)benzoyl]benzohydrazide?
2-fluoro-N'-[4-(phenoxymethyl)benzoyl]benzohydrazide has a molecular weight of 364.38 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-[4-(phenoxymethyl)benzoyl]benzohydrazide is sourced from PubChem (CID 4875820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).