2-fluoro-N'-[3-(4-oxocinnolin-1-yl)propanoyl]benzohydrazide

C18H15FN4O3 — CID 51255034

IUPAC2-fluoro-N'-[3-(4-oxocinnolin-1-yl)propanoyl]benzohydrazide
SMILESO=C(CCn1ncc(=O)c2ccccc21)NNC(=O)c1ccccc1F
InChIInChI=1S/C18H15FN4O3/c19-14-7-3-1-5-12(14)18(26)22-21-17(25)9-10-23-15-8-4-2-6-13(15)16(24)11-20-23/h1-8,11H,9-10H2,(H,21,25)(H,22,26)
InChIKeyFZSRLPIZARSLMJ-UHFFFAOYSA-N
MW354.34 g/mol
LogP1.39
Rot. Bonds4

About 2-fluoro-N'-[3-(4-oxocinnolin-1-yl)propanoyl]benzohydrazide

2-fluoro-N'-[3-(4-oxocinnolin-1-yl)propanoyl]benzohydrazide (PubChem CID 51255034) has the molecular formula C18H15FN4O3 and a molecular weight of 354.34 g/mol. Its IUPAC name is 2-fluoro-N'-[3-(4-oxocinnolin-1-yl)propanoyl]benzohydrazide.

Molecular Properties

Compound Name2-fluoro-N'-[3-(4-oxocinnolin-1-yl)propanoyl]benzohydrazide
PubChem CID51255034
Molecular FormulaC18H15FN4O3
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC Name2-fluoro-N'-[3-(4-oxocinnolin-1-yl)propanoyl]benzohydrazide
SMILESO=C(CCn1ncc(=O)c2ccccc21)NNC(=O)c1ccccc1F
InChIInChI=1S/C18H15FN4O3/c19-14-7-3-1-5-12(14)18(26)22-21-17(25)9-10-23-15-8-4-2-6-13(15)16(24)11-20-23/h1-8,11H,9-10H2,(H,21,25)(H,22,26)
InChIKeyFZSRLPIZARSLMJ-UHFFFAOYSA-N
XLogP1.39
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-oxocinnolin-1-yl)-N-propan-2-ylpropanamide
CID 47123641
N'-[3-(4-oxocinnolin-1-yl)propanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 55438924
3-(4-oxocinnolin-1-yl)propanamide
CID 47123782
4-hexoxy-N'-[3-(4-oxocinnolin-1-yl)propanoyl]benzohydrazide
CID 55458088
2-fluoro-N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]benzohydrazide
CID 27019412
N-(2-fluoro-5-nitrophenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 134022344
3-fluoro-4-methyl-5-[3-(4-oxocinnolin-1-yl)propanoylamino]benzamide
CID 87001719
N-(4-acetylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 18097698
N-(2-tert-butylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 134015345
N-[4-(2-hydroxyethyl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 110922929
(2-anilino-2-oxoethyl) 3-(4-oxocinnolin-1-yl)propanoate
CID 55444031
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-oxocinnolin-1-yl)propanoate
CID 55444215

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-[3-(4-oxocinnolin-1-yl)propanoyl]benzohydrazide?
The IUPAC name of 2-fluoro-N'-[3-(4-oxocinnolin-1-yl)propanoyl]benzohydrazide (CID 51255034) is 2-fluoro-N'-[3-(4-oxocinnolin-1-yl)propanoyl]benzohydrazide.
What is the SMILES notation for 2-fluoro-N'-[3-(4-oxocinnolin-1-yl)propanoyl]benzohydrazide?
The canonical SMILES for 2-fluoro-N'-[3-(4-oxocinnolin-1-yl)propanoyl]benzohydrazide is O=C(CCn1ncc(=O)c2ccccc21)NNC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N'-[3-(4-oxocinnolin-1-yl)propanoyl]benzohydrazide?
The InChIKey is FZSRLPIZARSLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O3/c19-14-7-3-1-5-12(14)18(26)22-21-17(25)9-10-23-15-8-4-2-6-13(15)16(24)11-20-23/h1-8,11H,9-10H2,(H,21,25)(H,22,26).
What are the key properties of 2-fluoro-N'-[3-(4-oxocinnolin-1-yl)propanoyl]benzohydrazide?
2-fluoro-N'-[3-(4-oxocinnolin-1-yl)propanoyl]benzohydrazide has a molecular weight of 354.34 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-[3-(4-oxocinnolin-1-yl)propanoyl]benzohydrazide is sourced from PubChem (CID 51255034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).