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

C19H19FN2O3 — CID 76859669

IUPAC2-(2-fluorophenoxy)-N'-[3-(3-methylphenyl)prop-2-enoyl]propanehydrazide
SMILESCc1cccc(C=CC(=O)NNC(=O)C(C)Oc2ccccc2F)c1
InChIInChI=1S/C19H19FN2O3/c1-13-6-5-7-15(12-13)10-11-18(23)21-22-19(24)14(2)25-17-9-4-3-8-16(17)20/h3-12,14H,1-2H3,(H,21,23)(H,22,24)
InChIKeyWWYQWRQZEWZTQW-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.76
Rot. Bonds5

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

2-(2-fluorophenoxy)-N'-[3-(3-methylphenyl)prop-2-enoyl]propanehydrazide (PubChem CID 76859669) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N'-[3-(3-methylphenyl)prop-2-enoyl]propanehydrazide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N'-[3-(3-methylphenyl)prop-2-enoyl]propanehydrazide
PubChem CID76859669
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name2-(2-fluorophenoxy)-N'-[3-(3-methylphenyl)prop-2-enoyl]propanehydrazide
SMILESCc1cccc(C=CC(=O)NNC(=O)C(C)Oc2ccccc2F)c1
InChIInChI=1S/C19H19FN2O3/c1-13-6-5-7-15(12-13)10-11-18(23)21-22-19(24)14(2)25-17-9-4-3-8-16(17)20/h3-12,14H,1-2H3,(H,21,23)(H,22,24)
InChIKeyWWYQWRQZEWZTQW-UHFFFAOYSA-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

(2S)-2-(2-fluorophenoxy)-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]propanehydrazide
CID 7910893
(2S)-2-(4-fluorophenoxy)-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]propanehydrazide
CID 9367296
(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
(2S)-2-(3-bromophenoxy)-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]propanehydrazide
CID 9370836
N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 24638289
1-(2,5-dimethylphenyl)-3-[[(2S)-2-(2-fluorophenoxy)propanoyl]amino]thiourea
CID 8679668
2-naphthalen-2-yloxy-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide
CID 6234718
(2R)-2-(3-bromophenoxy)-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide
CID 9370953
(2S)-2-(4-ethoxyphenoxy)-N'-[(E)-3-(3-fluorophenyl)prop-2-enoyl]propanehydrazide
CID 8960600
1-[[(2S)-2-(2-fluorophenoxy)propanoyl]amino]-3-methylthiourea
CID 8767721
2-(2-fluorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide
CID 47102861

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N'-[3-(3-methylphenyl)prop-2-enoyl]propanehydrazide?
The IUPAC name of 2-(2-fluorophenoxy)-N'-[3-(3-methylphenyl)prop-2-enoyl]propanehydrazide (CID 76859669) is 2-(2-fluorophenoxy)-N'-[3-(3-methylphenyl)prop-2-enoyl]propanehydrazide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N'-[3-(3-methylphenyl)prop-2-enoyl]propanehydrazide?
The canonical SMILES for 2-(2-fluorophenoxy)-N'-[3-(3-methylphenyl)prop-2-enoyl]propanehydrazide is Cc1cccc(C=CC(=O)NNC(=O)C(C)Oc2ccccc2F)c1.
What is the InChIKey of 2-(2-fluorophenoxy)-N'-[3-(3-methylphenyl)prop-2-enoyl]propanehydrazide?
The InChIKey is WWYQWRQZEWZTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-13-6-5-7-15(12-13)10-11-18(23)21-22-19(24)14(2)25-17-9-4-3-8-16(17)20/h3-12,14H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-(2-fluorophenoxy)-N'-[3-(3-methylphenyl)prop-2-enoyl]propanehydrazide?
2-(2-fluorophenoxy)-N'-[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 2-(2-fluorophenoxy)-N'-[3-(3-methylphenyl)prop-2-enoyl]propanehydrazide is sourced from PubChem (CID 76859669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).