(E)-3-(2,4-dichlorophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide

C17H13Cl2FN2O2S — CID 7969866

IUPAC(E)-3-(2,4-dichlorophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)NNC(=O)CSc1ccccc1F
InChIInChI=1S/C17H13Cl2FN2O2S/c18-12-7-5-11(13(19)9-12)6-8-16(23)21-22-17(24)10-25-15-4-2-1-3-14(15)20/h1-9H,10H2,(H,21,23)(H,22,24)/b8-6+
InChIKeyKHLFBKWSWUPVAO-SOFGYWHQSA-N
MW399.27 g/mol
LogP4.09
Rot. Bonds5

About (E)-3-(2,4-dichlorophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide

(E)-3-(2,4-dichlorophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide (PubChem CID 7969866) has the molecular formula C17H13Cl2FN2O2S and a molecular weight of 399.27 g/mol. Its IUPAC name is (E)-3-(2,4-dichlorophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(2,4-dichlorophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide
PubChem CID7969866
Molecular FormulaC17H13Cl2FN2O2S
Molecular Weight399.27 g/mol
Exact Mass398.01
IUPAC Name(E)-3-(2,4-dichlorophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)NNC(=O)CSc1ccccc1F
InChIInChI=1S/C17H13Cl2FN2O2S/c18-12-7-5-11(13(19)9-12)6-8-16(23)21-22-17(24)10-25-15-4-2-1-3-14(15)20/h1-9H,10H2,(H,21,23)(H,22,24)/b8-6+
InChIKeyKHLFBKWSWUPVAO-SOFGYWHQSA-N
XLogP4.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.27
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dichlorophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide?
The IUPAC name of (E)-3-(2,4-dichlorophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide (CID 7969866) is (E)-3-(2,4-dichlorophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide.
What is the SMILES notation for (E)-3-(2,4-dichlorophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide?
The canonical SMILES for (E)-3-(2,4-dichlorophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide is O=C(/C=C/c1ccc(Cl)cc1Cl)NNC(=O)CSc1ccccc1F.
What is the InChIKey of (E)-3-(2,4-dichlorophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide?
The InChIKey is KHLFBKWSWUPVAO-SOFGYWHQSA-N. The full InChI is InChI=1S/C17H13Cl2FN2O2S/c18-12-7-5-11(13(19)9-12)6-8-16(23)21-22-17(24)10-25-15-4-2-1-3-14(15)20/h1-9H,10H2,(H,21,23)(H,22,24)/b8-6+.
What are the key properties of (E)-3-(2,4-dichlorophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide?
(E)-3-(2,4-dichlorophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide has a molecular weight of 399.27 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dichlorophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide is sourced from PubChem (CID 7969866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).