2-fluoro-N'-(2-phenylbutanoyl)benzohydrazide

C17H17FN2O2 — CID 51145365

IUPAC2-fluoro-N'-(2-phenylbutanoyl)benzohydrazide
SMILESCCC(C(=O)NNC(=O)c1ccccc1F)c1ccccc1
InChIInChI=1S/C17H17FN2O2/c1-2-13(12-8-4-3-5-9-12)16(21)19-20-17(22)14-10-6-7-11-15(14)18/h3-11,13H,2H2,1H3,(H,19,21)(H,20,22)
InChIKeyHIJYOKVAVHXVEM-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.78
Rot. Bonds4

About 2-fluoro-N'-(2-phenylbutanoyl)benzohydrazide

2-fluoro-N'-(2-phenylbutanoyl)benzohydrazide (PubChem CID 51145365) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 2-fluoro-N'-(2-phenylbutanoyl)benzohydrazide.

Molecular Properties

Compound Name2-fluoro-N'-(2-phenylbutanoyl)benzohydrazide
PubChem CID51145365
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name2-fluoro-N'-(2-phenylbutanoyl)benzohydrazide
SMILESCCC(C(=O)NNC(=O)c1ccccc1F)c1ccccc1
InChIInChI=1S/C17H17FN2O2/c1-2-13(12-8-4-3-5-9-12)16(21)19-20-17(22)14-10-6-7-11-15(14)18/h3-11,13H,2H2,1H3,(H,19,21)(H,20,22)
InChIKeyHIJYOKVAVHXVEM-UHFFFAOYSA-N
XLogP2.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-phenylbutanoylamino)urea
CID 63946462
2-amino-N'-[2-(4-chlorophenyl)butanoyl]benzohydrazide
CID 69077812
(2R)-N-(2-fluorophenyl)-2-phenylbutanamide
CID 7313846
N-(2-fluorophenyl)-2-phenylbutanamide
CID 3897268
N'-[(2S)-2-chloropropanoyl]-2-fluorobenzohydrazide
CID 97300264
N-(4-fluorophenyl)-2-[[(2S)-2-phenylbutanoyl]amino]benzamide
CID 7312055
3-methyl-N'-(2-phenylbutanoyl)butanehydrazide
CID 43020201
3-[(2-fluorobenzoyl)amino]-2-phenylpropanoic acid
CID 62882788
2-hydroxy-N-[(2S)-2-phenylbutanoyl]benzamide
CID 99908856
2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 3315693
N'-(2-benzhydrylsulfanylacetyl)-2-fluorobenzohydrazide
CID 9401840
2-[[(2R)-2-phenylbutanoyl]amino]benzoate
CID 6957947

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-(2-phenylbutanoyl)benzohydrazide?
The IUPAC name of 2-fluoro-N'-(2-phenylbutanoyl)benzohydrazide (CID 51145365) is 2-fluoro-N'-(2-phenylbutanoyl)benzohydrazide.
What is the SMILES notation for 2-fluoro-N'-(2-phenylbutanoyl)benzohydrazide?
The canonical SMILES for 2-fluoro-N'-(2-phenylbutanoyl)benzohydrazide is CCC(C(=O)NNC(=O)c1ccccc1F)c1ccccc1.
What is the InChIKey of 2-fluoro-N'-(2-phenylbutanoyl)benzohydrazide?
The InChIKey is HIJYOKVAVHXVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-2-13(12-8-4-3-5-9-12)16(21)19-20-17(22)14-10-6-7-11-15(14)18/h3-11,13H,2H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-fluoro-N'-(2-phenylbutanoyl)benzohydrazide?
2-fluoro-N'-(2-phenylbutanoyl)benzohydrazide has a molecular weight of 300.33 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-(2-phenylbutanoyl)benzohydrazide is sourced from PubChem (CID 51145365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).