2-(2-cyanophenyl)-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide

C23H18FN3O3 — CID 55380733

IUPAC2-(2-cyanophenyl)-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide
SMILESCC(Oc1ccccc1F)C(=O)NNC(=O)c1ccccc1-c1ccccc1C#N
InChIInChI=1S/C23H18FN3O3/c1-15(30-21-13-7-6-12-20(21)24)22(28)26-27-23(29)19-11-5-4-10-18(19)17-9-3-2-8-16(17)14-25/h2-13,15H,1H3,(H,26,28)(H,27,29)
InChIKeyANSHRGINKNQQOR-UHFFFAOYSA-N
MW403.41 g/mol
LogP3.59
Rot. Bonds5

About 2-(2-cyanophenyl)-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide

2-(2-cyanophenyl)-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide (PubChem CID 55380733) has the molecular formula C23H18FN3O3 and a molecular weight of 403.41 g/mol. Its IUPAC name is 2-(2-cyanophenyl)-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide.

Molecular Properties

Compound Name2-(2-cyanophenyl)-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide
PubChem CID55380733
Molecular FormulaC23H18FN3O3
Molecular Weight403.41 g/mol
Exact Mass403.13
IUPAC Name2-(2-cyanophenyl)-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide
SMILESCC(Oc1ccccc1F)C(=O)NNC(=O)c1ccccc1-c1ccccc1C#N
InChIInChI=1S/C23H18FN3O3/c1-15(30-21-13-7-6-12-20(21)24)22(28)26-27-23(29)19-11-5-4-10-18(19)17-9-3-2-8-16(17)14-25/h2-13,15H,1H3,(H,26,28)(H,27,29)
InChIKeyANSHRGINKNQQOR-UHFFFAOYSA-N
XLogP3.59
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 53.59
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

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'-[2-(2-fluorophenoxy)propanoyl]-2-nitrobenzohydrazide
CID 43003717
(2R)-N-(2-cyanophenyl)-2-(2-fluorophenoxy)propanamide
CID 7894228
N'-[2-(2-fluorophenoxy)propanoyl]-2-iodo-3-methylbenzohydrazide
CID 46452811
N'-[2-(2-fluorophenoxy)propanoyl]-2-oxo-1H-pyridine-3-carbohydrazide
CID 17499092
5-bromo-2-fluoro-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 43005319
N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-4-methylsulfanylbenzohydrazide
CID 8640633
N'-[(2R)-2-(2-fluorophenoxy)propanoyl]-4-methylsulfanylbenzohydrazide
CID 8640641
3-(difluoromethoxy)-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 7927406
4-[(1,3-dioxoisoindol-2-yl)methyl]-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 46642922
N'-[(2S)-2-(2-fluorophenoxy)propanoyl]naphthalene-2-carbohydrazide
CID 7760964

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide?
The IUPAC name of 2-(2-cyanophenyl)-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide (CID 55380733) is 2-(2-cyanophenyl)-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide.
What is the SMILES notation for 2-(2-cyanophenyl)-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide?
The canonical SMILES for 2-(2-cyanophenyl)-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide is CC(Oc1ccccc1F)C(=O)NNC(=O)c1ccccc1-c1ccccc1C#N.
What is the InChIKey of 2-(2-cyanophenyl)-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide?
The InChIKey is ANSHRGINKNQQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O3/c1-15(30-21-13-7-6-12-20(21)24)22(28)26-27-23(29)19-11-5-4-10-18(19)17-9-3-2-8-16(17)14-25/h2-13,15H,1H3,(H,26,28)(H,27,29).
What are the key properties of 2-(2-cyanophenyl)-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide?
2-(2-cyanophenyl)-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide has a molecular weight of 403.41 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide is sourced from PubChem (CID 55380733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).