4-cyano-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide

C17H14FN3O3 — CID 7760973

IUPAC4-cyano-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide
SMILESC[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C17H14FN3O3/c1-11(24-15-5-3-2-4-14(15)18)16(22)20-21-17(23)13-8-6-12(10-19)7-9-13/h2-9,11H,1H3,(H,20,22)(H,21,23)/t11-/m0/s1
InChIKeyTYPBXTHFVWJXLZ-NSHDSACASA-N
MW327.32 g/mol
LogP1.93
Rot. Bonds4

About 4-cyano-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide

4-cyano-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide (PubChem CID 7760973) has the molecular formula C17H14FN3O3 and a molecular weight of 327.32 g/mol. Its IUPAC name is 4-cyano-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide.

Molecular Properties

Compound Name4-cyano-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide
PubChem CID7760973
Molecular FormulaC17H14FN3O3
Molecular Weight327.32 g/mol
Exact Mass327.10
IUPAC Name4-cyano-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide
SMILESC[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C17H14FN3O3/c1-11(24-15-5-3-2-4-14(15)18)16(22)20-21-17(23)13-8-6-12(10-19)7-9-13/h2-9,11H,1H3,(H,20,22)(H,21,23)/t11-/m0/s1
InChIKeyTYPBXTHFVWJXLZ-NSHDSACASA-N
XLogP1.93
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 51.93
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

N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-4-methylsulfanylbenzohydrazide
CID 8640633
N'-[(2R)-2-(2-fluorophenoxy)propanoyl]-4-methylsulfanylbenzohydrazide
CID 8640641
4-cyano-N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 8880270
N'-[2-(2-fluorophenoxy)propanoyl]-4-methylsulfonylbenzohydrazide
CID 43003714
4-[[[(2R)-2-(2-fluorophenoxy)propanoyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 7761024
2-(2-cyanophenyl)-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 55380733
N'-[(2S)-2-(2-fluorophenoxy)propanoyl]naphthalene-2-carbohydrazide
CID 7760964
3-(difluoromethoxy)-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 7927406
N'-[2-(2-fluorophenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide
CID 24502964
N'-[2-(2-fluorophenoxy)propanoyl]-3,5-bis(trifluoromethyl)benzohydrazide
CID 43003740
4-[(1,3-dioxoisoindol-2-yl)methyl]-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 46642922
(2R)-N-(2-cyanophenyl)-2-(2-fluorophenoxy)propanamide
CID 7894228

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide?
The IUPAC name of 4-cyano-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide (CID 7760973) is 4-cyano-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide.
What is the SMILES notation for 4-cyano-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide?
The canonical SMILES for 4-cyano-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide is C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide?
The InChIKey is TYPBXTHFVWJXLZ-NSHDSACASA-N. The full InChI is InChI=1S/C17H14FN3O3/c1-11(24-15-5-3-2-4-14(15)18)16(22)20-21-17(23)13-8-6-12(10-19)7-9-13/h2-9,11H,1H3,(H,20,22)(H,21,23)/t11-/m0/s1.
What are the key properties of 4-cyano-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide?
4-cyano-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide has a molecular weight of 327.32 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide is sourced from PubChem (CID 7760973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).