(2S)-2-(2-fluorophenoxy)-N'-[2-(4-fluorophenyl)sulfanylacetyl]propanehydrazide

C17H16F2N2O3S — CID 7910833

IUPAC(2S)-2-(2-fluorophenoxy)-N'-[2-(4-fluorophenyl)sulfanylacetyl]propanehydrazide
SMILESC[C@H](Oc1ccccc1F)C(=O)NNC(=O)CSc1ccc(F)cc1
InChIInChI=1S/C17H16F2N2O3S/c1-11(24-15-5-3-2-4-14(15)19)17(23)21-20-16(22)10-25-13-8-6-12(18)7-9-13/h2-9,11H,10H2,1H3,(H,20,22)(H,21,23)/t11-/m0/s1
InChIKeyQFDBAMKZOZHPPL-NSHDSACASA-N
MW366.39 g/mol
LogP2.67
Rot. Bonds6

About (2S)-2-(2-fluorophenoxy)-N'-[2-(4-fluorophenyl)sulfanylacetyl]propanehydrazide

(2S)-2-(2-fluorophenoxy)-N'-[2-(4-fluorophenyl)sulfanylacetyl]propanehydrazide (PubChem CID 7910833) has the molecular formula C17H16F2N2O3S and a molecular weight of 366.39 g/mol. Its IUPAC name is (2S)-2-(2-fluorophenoxy)-N'-[2-(4-fluorophenyl)sulfanylacetyl]propanehydrazide.

Molecular Properties

Compound Name(2S)-2-(2-fluorophenoxy)-N'-[2-(4-fluorophenyl)sulfanylacetyl]propanehydrazide
PubChem CID7910833
Molecular FormulaC17H16F2N2O3S
Molecular Weight366.39 g/mol
Exact Mass366.08
IUPAC Name(2S)-2-(2-fluorophenoxy)-N'-[2-(4-fluorophenyl)sulfanylacetyl]propanehydrazide
SMILESC[C@H](Oc1ccccc1F)C(=O)NNC(=O)CSc1ccc(F)cc1
InChIInChI=1S/C17H16F2N2O3S/c1-11(24-15-5-3-2-4-14(15)19)17(23)21-20-16(22)10-25-13-8-6-12(18)7-9-13/h2-9,11H,10H2,1H3,(H,20,22)(H,21,23)/t11-/m0/s1
InChIKeyQFDBAMKZOZHPPL-NSHDSACASA-N
XLogP2.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 52.67
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

2-(2-fluorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide
CID 47102861
2-(2-fluorophenoxy)-N'-[2-(2-fluorophenoxy)acetyl]propanehydrazide
CID 51156370
2-(2-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide
CID 51195433
N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-4-methylsulfanylbenzohydrazide
CID 8640633
N'-[(2R)-2-(2-fluorophenoxy)propanoyl]-4-methylsulfanylbenzohydrazide
CID 8640641
(2R)-N'-[2-(4-bromophenyl)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 7910909
N-[3-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
CID 24982102
(2S)-N'-[2-(4-chlorophenoxy)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 7927413
N'-[2-(2-tert-butylphenoxy)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 46653812
(2S)-N'-[2-(2,6-dichlorophenyl)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 7760988
(2S)-N'-[2-(5-chloro-2-methoxyphenyl)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 9087471
(2S)-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 9373593

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-fluorophenoxy)-N'-[2-(4-fluorophenyl)sulfanylacetyl]propanehydrazide?
The IUPAC name of (2S)-2-(2-fluorophenoxy)-N'-[2-(4-fluorophenyl)sulfanylacetyl]propanehydrazide (CID 7910833) is (2S)-2-(2-fluorophenoxy)-N'-[2-(4-fluorophenyl)sulfanylacetyl]propanehydrazide.
What is the SMILES notation for (2S)-2-(2-fluorophenoxy)-N'-[2-(4-fluorophenyl)sulfanylacetyl]propanehydrazide?
The canonical SMILES for (2S)-2-(2-fluorophenoxy)-N'-[2-(4-fluorophenyl)sulfanylacetyl]propanehydrazide is C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CSc1ccc(F)cc1.
What is the InChIKey of (2S)-2-(2-fluorophenoxy)-N'-[2-(4-fluorophenyl)sulfanylacetyl]propanehydrazide?
The InChIKey is QFDBAMKZOZHPPL-NSHDSACASA-N. The full InChI is InChI=1S/C17H16F2N2O3S/c1-11(24-15-5-3-2-4-14(15)19)17(23)21-20-16(22)10-25-13-8-6-12(18)7-9-13/h2-9,11H,10H2,1H3,(H,20,22)(H,21,23)/t11-/m0/s1.
What are the key properties of (2S)-2-(2-fluorophenoxy)-N'-[2-(4-fluorophenyl)sulfanylacetyl]propanehydrazide?
(2S)-2-(2-fluorophenoxy)-N'-[2-(4-fluorophenyl)sulfanylacetyl]propanehydrazide has a molecular weight of 366.39 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-fluorophenoxy)-N'-[2-(4-fluorophenyl)sulfanylacetyl]propanehydrazide is sourced from PubChem (CID 7910833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).