4-[(1,3-dioxoisoindol-2-yl)methyl]-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide

C25H20FN3O5 — CID 46642922

IUPAC4-[(1,3-dioxoisoindol-2-yl)methyl]-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide
SMILESCC(Oc1ccccc1F)C(=O)NNC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C25H20FN3O5/c1-15(34-21-9-5-4-8-20(21)26)22(30)27-28-23(31)17-12-10-16(11-13-17)14-29-24(32)18-6-2-3-7-19(18)25(29)33/h2-13,15H,14H2,1H3,(H,27,30)(H,28,31)
InChIKeyBVSKCPHDXKFJBI-UHFFFAOYSA-N
MW461.45 g/mol
LogP2.85
Rot. Bonds6

About 4-[(1,3-dioxoisoindol-2-yl)methyl]-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide

4-[(1,3-dioxoisoindol-2-yl)methyl]-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide (PubChem CID 46642922) has the molecular formula C25H20FN3O5 and a molecular weight of 461.45 g/mol. Its IUPAC name is 4-[(1,3-dioxoisoindol-2-yl)methyl]-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide.

Molecular Properties

Compound Name4-[(1,3-dioxoisoindol-2-yl)methyl]-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide
PubChem CID46642922
Molecular FormulaC25H20FN3O5
Molecular Weight461.45 g/mol
Exact Mass461.14
IUPAC Name4-[(1,3-dioxoisoindol-2-yl)methyl]-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide
SMILESCC(Oc1ccccc1F)C(=O)NNC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C25H20FN3O5/c1-15(34-21-9-5-4-8-20(21)26)22(30)27-28-23(31)17-12-10-16(11-13-17)14-29-24(32)18-6-2-3-7-19(18)25(29)33/h2-13,15H,14H2,1H3,(H,27,30)(H,28,31)
InChIKeyBVSKCPHDXKFJBI-UHFFFAOYSA-N
XLogP2.85
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.45
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'-[(2S)-2-(2-fluorophenoxy)propanoyl]-4-methylsulfanylbenzohydrazide
CID 8640633
N'-[(2R)-2-(2-fluorophenoxy)propanoyl]-4-methylsulfanylbenzohydrazide
CID 8640641
N'-[2-(2-fluorophenoxy)propanoyl]-4-methylsulfonylbenzohydrazide
CID 43003714
4-cyano-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 7760973
5-chloro-2-fluoro-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 9087475
N'-[(2S)-2-(2-fluorophenoxy)propanoyl]naphthalene-2-carbohydrazide
CID 7760964
4-[[[(2R)-2-(2-fluorophenoxy)propanoyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 7761024
3-(difluoromethoxy)-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 7927406
2-(2-cyanophenyl)-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 55380733
N'-[2-(2-fluorophenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide
CID 24502964
N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide
CID 9373705
N'-[2-(2-fluorophenoxy)propanoyl]-3,5-bis(trifluoromethyl)benzohydrazide
CID 43003740

Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide?
The IUPAC name of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide (CID 46642922) is 4-[(1,3-dioxoisoindol-2-yl)methyl]-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide.
What is the SMILES notation for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide?
The canonical SMILES for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide is CC(Oc1ccccc1F)C(=O)NNC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide?
The InChIKey is BVSKCPHDXKFJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O5/c1-15(34-21-9-5-4-8-20(21)26)22(30)27-28-23(31)17-12-10-16(11-13-17)14-29-24(32)18-6-2-3-7-19(18)25(29)33/h2-13,15H,14H2,1H3,(H,27,30)(H,28,31).
What are the key properties of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide?
4-[(1,3-dioxoisoindol-2-yl)methyl]-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide has a molecular weight of 461.45 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide is sourced from PubChem (CID 46642922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).