N'-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-4-fluorobenzohydrazide

C19H16FN3O4 — CID 2598564

IUPACN'-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-4-fluorobenzohydrazide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H16FN3O4/c20-13-9-7-12(8-10-13)17(25)22-21-16(24)6-3-11-23-18(26)14-4-1-2-5-15(14)19(23)27/h1-2,4-5,7-10H,3,6,11H2,(H,21,24)(H,22,25)
InChIKeyONYWSMBTCAXBKD-UHFFFAOYSA-N
MW369.35 g/mol
LogP1.66
Rot. Bonds5

About N'-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-4-fluorobenzohydrazide

N'-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-4-fluorobenzohydrazide (PubChem CID 2598564) has the molecular formula C19H16FN3O4 and a molecular weight of 369.35 g/mol. Its IUPAC name is N'-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-4-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-4-fluorobenzohydrazide
PubChem CID2598564
Molecular FormulaC19H16FN3O4
Molecular Weight369.35 g/mol
Exact Mass369.11
IUPAC NameN'-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-4-fluorobenzohydrazide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H16FN3O4/c20-13-9-7-12(8-10-13)17(25)22-21-16(24)6-3-11-23-18(26)14-4-1-2-5-15(14)19(23)27/h1-2,4-5,7-10H,3,6,11H2,(H,21,24)(H,22,25)
InChIKeyONYWSMBTCAXBKD-UHFFFAOYSA-N
XLogP1.66
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-methylbenzohydrazide
CID 2672371
N-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]formamide
CID 56766373
4-(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
CID 41014156
N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-ethoxybenzohydrazide
CID 8915094
4-fluoro-N'-[4-[5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoyl]benzohydrazide
CID 4760573
N-(3,5-difluorophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 34169021
[2-(4-fluorophenyl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 9363316
N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-3-fluorobenzamide
CID 108542677
4-fluoro-N'-(4-phenoxybutanoyl)benzohydrazide
CID 7732785
3-(1,3-dioxoisoindol-2-yl)propyl 4-fluorobenzoate
CID 31981087
4-chloro-N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]benzamide
CID 55677974
N'-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-5-phenyl-1,2-oxazole-3-carbohydrazide
CID 35953866

Frequently Asked Questions

What is the IUPAC name of N'-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-4-fluorobenzohydrazide?
The IUPAC name of N'-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-4-fluorobenzohydrazide (CID 2598564) is N'-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-4-fluorobenzohydrazide.
What is the SMILES notation for N'-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-4-fluorobenzohydrazide?
The canonical SMILES for N'-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-4-fluorobenzohydrazide is O=C(CCCN1C(=O)c2ccccc2C1=O)NNC(=O)c1ccc(F)cc1.
What is the InChIKey of N'-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-4-fluorobenzohydrazide?
The InChIKey is ONYWSMBTCAXBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O4/c20-13-9-7-12(8-10-13)17(25)22-21-16(24)6-3-11-23-18(26)14-4-1-2-5-15(14)19(23)27/h1-2,4-5,7-10H,3,6,11H2,(H,21,24)(H,22,25).
What are the key properties of N'-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-4-fluorobenzohydrazide?
N'-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-4-fluorobenzohydrazide has a molecular weight of 369.35 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-4-fluorobenzohydrazide is sourced from PubChem (CID 2598564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).