(2S)-2-(2-fluorophenoxy)-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]propanehydrazide

C19H16F4N2O3 — CID 7910893

IUPAC(2S)-2-(2-fluorophenoxy)-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]propanehydrazide
SMILESC[C@H](Oc1ccccc1F)C(=O)NNC(=O)/C=C/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F4N2O3/c1-12(28-16-8-3-2-7-15(16)20)18(27)25-24-17(26)10-9-13-5-4-6-14(11-13)19(21,22)23/h2-12H,1H3,(H,24,26)(H,25,27)/b10-9+/t12-/m0/s1
InChIKeyQPFLFUHSVQFSBI-VMPCVLLUSA-N
MW396.34 g/mol
LogP3.47
Rot. Bonds5

About (2S)-2-(2-fluorophenoxy)-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]propanehydrazide

(2S)-2-(2-fluorophenoxy)-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]propanehydrazide (PubChem CID 7910893) has the molecular formula C19H16F4N2O3 and a molecular weight of 396.34 g/mol. Its IUPAC name is (2S)-2-(2-fluorophenoxy)-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]propanehydrazide.

Molecular Properties

Compound Name(2S)-2-(2-fluorophenoxy)-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]propanehydrazide
PubChem CID7910893
Molecular FormulaC19H16F4N2O3
Molecular Weight396.34 g/mol
Exact Mass396.11
IUPAC Name(2S)-2-(2-fluorophenoxy)-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]propanehydrazide
SMILESC[C@H](Oc1ccccc1F)C(=O)NNC(=O)/C=C/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F4N2O3/c1-12(28-16-8-3-2-7-15(16)20)18(27)25-24-17(26)10-9-13-5-4-6-14(11-13)19(21,22)23/h2-12H,1H3,(H,24,26)(H,25,27)/b10-9+/t12-/m0/s1
InChIKeyQPFLFUHSVQFSBI-VMPCVLLUSA-N
XLogP3.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.34
LogP ≤ 53.47
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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Related Compounds

2-(2-fluorophenoxy)-N'-[3-(3-methylphenyl)prop-2-enoyl]propanehydrazide
CID 76859669
(2S)-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]-2-(2-fluorophenoxy)propanehydrazide
CID 9373459
(2R)-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]-2-(2-fluorophenoxy)propanehydrazide
CID 9373457
N'-[2-(2-fluorophenoxy)propanoyl]-3,5-bis(trifluoromethyl)benzohydrazide
CID 43003740
(2S)-2-(4-fluorophenoxy)-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]propanehydrazide
CID 9367296
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 8867522
N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 24638289
2-methyl-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]benzohydrazide
CID 9220913
2-naphthalen-2-yloxy-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide
CID 6234718
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 7967736
(2R)-2-(3-bromophenoxy)-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide
CID 9370953
(E)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enehydrazide
CID 26840117

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-fluorophenoxy)-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]propanehydrazide?
The IUPAC name of (2S)-2-(2-fluorophenoxy)-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]propanehydrazide (CID 7910893) is (2S)-2-(2-fluorophenoxy)-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]propanehydrazide.
What is the SMILES notation for (2S)-2-(2-fluorophenoxy)-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]propanehydrazide?
The canonical SMILES for (2S)-2-(2-fluorophenoxy)-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]propanehydrazide is C[C@H](Oc1ccccc1F)C(=O)NNC(=O)/C=C/c1cccc(C(F)(F)F)c1.
What is the InChIKey of (2S)-2-(2-fluorophenoxy)-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]propanehydrazide?
The InChIKey is QPFLFUHSVQFSBI-VMPCVLLUSA-N. The full InChI is InChI=1S/C19H16F4N2O3/c1-12(28-16-8-3-2-7-15(16)20)18(27)25-24-17(26)10-9-13-5-4-6-14(11-13)19(21,22)23/h2-12H,1H3,(H,24,26)(H,25,27)/b10-9+/t12-/m0/s1.
What are the key properties of (2S)-2-(2-fluorophenoxy)-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]propanehydrazide?
(2S)-2-(2-fluorophenoxy)-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]propanehydrazide has a molecular weight of 396.34 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-fluorophenoxy)-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]propanehydrazide is sourced from PubChem (CID 7910893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).