2-(3-fluorophenyl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]acetohydrazide

C18H16FN3O4 — CID 9237538

IUPAC2-(3-fluorophenyl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]acetohydrazide
SMILESO=C(Cc1cccc(F)c1)NNC(=O)CN1C(=O)COc2ccccc21
InChIInChI=1S/C18H16FN3O4/c19-13-5-3-4-12(8-13)9-16(23)20-21-17(24)10-22-14-6-1-2-7-15(14)26-11-18(22)25/h1-8H,9-11H2,(H,20,23)(H,21,24)
InChIKeyHMOYUIYFYVLGPP-UHFFFAOYSA-N
MW357.34 g/mol
LogP0.94
Rot. Bonds4

About 2-(3-fluorophenyl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]acetohydrazide

2-(3-fluorophenyl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]acetohydrazide (PubChem CID 9237538) has the molecular formula C18H16FN3O4 and a molecular weight of 357.34 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]acetohydrazide
PubChem CID9237538
Molecular FormulaC18H16FN3O4
Molecular Weight357.34 g/mol
Exact Mass357.11
IUPAC Name2-(3-fluorophenyl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]acetohydrazide
SMILESO=C(Cc1cccc(F)c1)NNC(=O)CN1C(=O)COc2ccccc21
InChIInChI=1S/C18H16FN3O4/c19-13-5-3-4-12(8-13)9-16(23)20-21-17(24)10-22-14-6-1-2-7-15(14)26-11-18(22)25/h1-8H,9-11H2,(H,20,23)(H,21,24)
InChIKeyHMOYUIYFYVLGPP-UHFFFAOYSA-N
XLogP0.94
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-oxo-1,4-benzoxazin-4-yl)-N-phenylmethoxyacetamide
CID 51072486
3-(furan-2-yl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]propanehydrazide
CID 17431901
3-cyano-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]benzohydrazide
CID 9237521
4-[2-(4-fluorophenyl)-2-oxoethyl]-1,4-benzoxazin-3-one
CID 3952636
N-(3-methylsulfanylphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 6460021
N'-[2-(2,4-dimethylphenyl)sulfanylacetyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetohydrazide
CID 9236472
N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 33271946
4-morpholin-4-yl-4-oxo-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]butanehydrazide
CID 9237466
2-(3-oxo-1,4-benzoxazin-4-yl)-N-(1-phenylethyl)acetamide
CID 3239944
(E)-3-(2-methylphenyl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]prop-2-enehydrazide
CID 9236639
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18143465
N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 18120641

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]acetohydrazide?
The IUPAC name of 2-(3-fluorophenyl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]acetohydrazide (CID 9237538) is 2-(3-fluorophenyl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]acetohydrazide.
What is the SMILES notation for 2-(3-fluorophenyl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]acetohydrazide?
The canonical SMILES for 2-(3-fluorophenyl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]acetohydrazide is O=C(Cc1cccc(F)c1)NNC(=O)CN1C(=O)COc2ccccc21.
What is the InChIKey of 2-(3-fluorophenyl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]acetohydrazide?
The InChIKey is HMOYUIYFYVLGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O4/c19-13-5-3-4-12(8-13)9-16(23)20-21-17(24)10-22-14-6-1-2-7-15(14)26-11-18(22)25/h1-8H,9-11H2,(H,20,23)(H,21,24).
What are the key properties of 2-(3-fluorophenyl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]acetohydrazide?
2-(3-fluorophenyl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]acetohydrazide has a molecular weight of 357.34 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]acetohydrazide is sourced from PubChem (CID 9237538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).