2-fluoro-N-[2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide

C17H16FN3O3 — CID 9220655

IUPAC2-fluoro-N-[2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide
SMILESCc1ccccc1C(=O)NNC(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C17H16FN3O3/c1-11-6-2-3-7-12(11)17(24)21-20-15(22)10-19-16(23)13-8-4-5-9-14(13)18/h2-9H,10H2,1H3,(H,19,23)(H,20,22)(H,21,24)
InChIKeyGQSGGBRVFPXBKC-UHFFFAOYSA-N
MW329.33 g/mol
LogP1.33
Rot. Bonds4

About 2-fluoro-N-[2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide

2-fluoro-N-[2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 9220655) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is 2-fluoro-N-[2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide
PubChem CID9220655
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC Name2-fluoro-N-[2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide
SMILESCc1ccccc1C(=O)NNC(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C17H16FN3O3/c1-11-6-2-3-7-12(11)17(24)21-20-15(22)10-19-16(23)13-8-4-5-9-14(13)18/h2-9H,10H2,1H3,(H,19,23)(H,20,22)(H,21,24)
InChIKeyGQSGGBRVFPXBKC-UHFFFAOYSA-N
XLogP1.33
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 51.33
H-Bond Donors ≤ 53
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-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
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2-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide
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N-[2-[2-[2-(2,4-dimethylanilino)acetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 9432088
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N-[2-[2-(cyclopropanecarbonyl)hydrazinyl]-2-oxoethyl]-2-methylbenzamide
CID 51165990
2-fluoro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 3424482
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methylbenzamide
CID 17395084
2-methyl-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzamide
CID 51163103
2-fluoro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163327
2-fluoro-N-[2-(methoxyamino)-2-oxoethyl]benzamide
CID 60717185
2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 21383192

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide (CID 9220655) is 2-fluoro-N-[2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide is Cc1ccccc1C(=O)NNC(=O)CNC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is GQSGGBRVFPXBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3/c1-11-6-2-3-7-12(11)17(24)21-20-15(22)10-19-16(23)13-8-4-5-9-14(13)18/h2-9H,10H2,1H3,(H,19,23)(H,20,22)(H,21,24).
What are the key properties of 2-fluoro-N-[2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide?
2-fluoro-N-[2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 329.33 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 9220655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).