(2S)-2-(4-fluorophenoxy)-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]propanehydrazide

C19H19FN2O3 — CID 9367296

IUPAC(2S)-2-(4-fluorophenoxy)-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]propanehydrazide
SMILESCc1cccc(/C=C/C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)c1
InChIInChI=1S/C19H19FN2O3/c1-13-4-3-5-15(12-13)6-11-18(23)21-22-19(24)14(2)25-17-9-7-16(20)8-10-17/h3-12,14H,1-2H3,(H,21,23)(H,22,24)/b11-6+/t14-/m0/s1
InChIKeyKDINKWYGCJFUHM-MUAYPFOZSA-N
MW342.37 g/mol
LogP2.76
Rot. Bonds5

About (2S)-2-(4-fluorophenoxy)-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]propanehydrazide

(2S)-2-(4-fluorophenoxy)-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]propanehydrazide (PubChem CID 9367296) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenoxy)-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]propanehydrazide.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenoxy)-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]propanehydrazide
PubChem CID9367296
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name(2S)-2-(4-fluorophenoxy)-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]propanehydrazide
SMILESCc1cccc(/C=C/C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)c1
InChIInChI=1S/C19H19FN2O3/c1-13-4-3-5-15(12-13)6-11-18(23)21-22-19(24)14(2)25-17-9-7-16(20)8-10-17/h3-12,14H,1-2H3,(H,21,23)(H,22,24)/b11-6+/t14-/m0/s1
InChIKeyKDINKWYGCJFUHM-MUAYPFOZSA-N
XLogP2.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.76
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

N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 24638289
2-(2-fluorophenoxy)-N'-[3-(3-methylphenyl)prop-2-enoyl]propanehydrazide
CID 76859669
(2S)-2-(3-bromophenoxy)-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]propanehydrazide
CID 9370836
N'-[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 24566001
(2S)-2-(4-ethoxyphenoxy)-N'-[(E)-3-(3-fluorophenyl)prop-2-enoyl]propanehydrazide
CID 8960600
(2S)-2-(4-fluorophenoxy)-N'-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]propanehydrazide
CID 9160111
2-naphthalen-2-yloxy-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide
CID 6234718
(2S)-2-(4-fluorophenoxy)-N'-[(E)-3-(furan-2-yl)prop-2-enoyl]propanehydrazide
CID 7779836
(2R)-2-(4-fluorophenoxy)-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]propanehydrazide
CID 9367846
(2R)-N'-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9368256
2-(4-fluorophenoxy)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide
CID 24638267
(2R)-2-(3-bromophenoxy)-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide
CID 9370953

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenoxy)-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]propanehydrazide?
The IUPAC name of (2S)-2-(4-fluorophenoxy)-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]propanehydrazide (CID 9367296) is (2S)-2-(4-fluorophenoxy)-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]propanehydrazide.
What is the SMILES notation for (2S)-2-(4-fluorophenoxy)-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]propanehydrazide?
The canonical SMILES for (2S)-2-(4-fluorophenoxy)-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]propanehydrazide is Cc1cccc(/C=C/C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)c1.
What is the InChIKey of (2S)-2-(4-fluorophenoxy)-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]propanehydrazide?
The InChIKey is KDINKWYGCJFUHM-MUAYPFOZSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-13-4-3-5-15(12-13)6-11-18(23)21-22-19(24)14(2)25-17-9-7-16(20)8-10-17/h3-12,14H,1-2H3,(H,21,23)(H,22,24)/b11-6+/t14-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenoxy)-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]propanehydrazide?
(2S)-2-(4-fluorophenoxy)-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]propanehydrazide has a molecular weight of 342.37 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenoxy)-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]propanehydrazide is sourced from PubChem (CID 9367296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).