2-fluoro-N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]benzohydrazide

C17H13FN4O3 — CID 21213678

IUPAC2-fluoro-N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]benzohydrazide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)NNC(=O)c1ccccc1F
InChIInChI=1S/C17H13FN4O3/c18-13-8-4-3-7-12(13)17(25)22-20-15(23)9-14-10-5-1-2-6-11(10)16(24)21-19-14/h1-8H,9H2,(H,20,23)(H,21,24)(H,22,25)
InChIKeyDZUNQQBVBWLYKQ-UHFFFAOYSA-N
MW340.31 g/mol
LogP1.07
Rot. Bonds3

About 2-fluoro-N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]benzohydrazide

2-fluoro-N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]benzohydrazide (PubChem CID 21213678) has the molecular formula C17H13FN4O3 and a molecular weight of 340.31 g/mol. Its IUPAC name is 2-fluoro-N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]benzohydrazide.

Molecular Properties

Compound Name2-fluoro-N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]benzohydrazide
PubChem CID21213678
Molecular FormulaC17H13FN4O3
Molecular Weight340.31 g/mol
Exact Mass340.10
IUPAC Name2-fluoro-N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]benzohydrazide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)NNC(=O)c1ccccc1F
InChIInChI=1S/C17H13FN4O3/c18-13-8-4-3-7-12(13)17(25)22-20-15(23)9-14-10-5-1-2-6-11(10)16(24)21-19-14/h1-8H,9H2,(H,20,23)(H,21,24)(H,22,25)
InChIKeyDZUNQQBVBWLYKQ-UHFFFAOYSA-N
XLogP1.07
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]furan-2-carbohydrazide
CID 2547939
[2-(2-fluorophenyl)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7789942
4-methoxy-N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]benzohydrazide
CID 21213715
2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide
CID 17394362
N-(4-chloro-2-fluorophenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 7901318
2-(4-oxo-3H-phthalazin-1-yl)-N-phenylmethoxyacetamide
CID 17472409
N-(furan-3-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 171679416
2-(4-oxo-3H-phthalazin-1-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide
CID 34933676
2,4-difluoro-N-[2-oxo-2-[2-(4-oxo-3H-phthalazine-1-carbonyl)hydrazinyl]ethyl]benzamide
CID 55486716
N-naphthalen-1-yl-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17403437
N-[(2-chloropyrimidin-5-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 166429063
N-[cyclopentyl-(2-fluorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 166234080

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]benzohydrazide?
The IUPAC name of 2-fluoro-N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]benzohydrazide (CID 21213678) is 2-fluoro-N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]benzohydrazide.
What is the SMILES notation for 2-fluoro-N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]benzohydrazide?
The canonical SMILES for 2-fluoro-N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]benzohydrazide is O=C(Cc1n[nH]c(=O)c2ccccc12)NNC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]benzohydrazide?
The InChIKey is DZUNQQBVBWLYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O3/c18-13-8-4-3-7-12(13)17(25)22-20-15(23)9-14-10-5-1-2-6-11(10)16(24)21-19-14/h1-8H,9H2,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of 2-fluoro-N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]benzohydrazide?
2-fluoro-N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]benzohydrazide has a molecular weight of 340.31 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]benzohydrazide is sourced from PubChem (CID 21213678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).