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

C20H21FN2O3 — CID 9373459

IUPAC(2S)-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]-2-(2-fluorophenoxy)propanehydrazide
SMILESCCc1ccc(/C=C/C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cc1
InChIInChI=1S/C20H21FN2O3/c1-3-15-8-10-16(11-9-15)12-13-19(24)22-23-20(25)14(2)26-18-7-5-4-6-17(18)21/h4-14H,3H2,1-2H3,(H,22,24)(H,23,25)/b13-12+/t14-/m0/s1
InChIKeySOKPUDUQEHKNLS-FNDVETGQSA-N
MW356.40 g/mol
LogP3.02
Rot. Bonds6

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

(2S)-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]-2-(2-fluorophenoxy)propanehydrazide (PubChem CID 9373459) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is (2S)-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]-2-(2-fluorophenoxy)propanehydrazide.

Molecular Properties

Compound Name(2S)-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]-2-(2-fluorophenoxy)propanehydrazide
PubChem CID9373459
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name(2S)-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]-2-(2-fluorophenoxy)propanehydrazide
SMILESCCc1ccc(/C=C/C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cc1
InChIInChI=1S/C20H21FN2O3/c1-3-15-8-10-16(11-9-15)12-13-19(24)22-23-20(25)14(2)26-18-7-5-4-6-17(18)21/h4-14H,3H2,1-2H3,(H,22,24)(H,23,25)/b13-12+/t14-/m0/s1
InChIKeySOKPUDUQEHKNLS-FNDVETGQSA-N
XLogP3.02
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.02
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

(2R)-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]-2-(2-fluorophenoxy)propanehydrazide
CID 9373457
2-(2-fluorophenoxy)-N'-[3-(3-methylphenyl)prop-2-enoyl]propanehydrazide
CID 76859669
(2S)-2-(2-fluorophenoxy)-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]propanehydrazide
CID 7910893
N'-[2-(4-ethylphenoxy)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 78565397
(E)-3-(4-ethylphenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide
CID 9157138
2-(2-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide
CID 51195433
(2R)-N'-[2-(4-bromophenyl)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 7910909
2-(2-fluorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide
CID 47102861
2-(2-fluorophenoxy)-N'-[2-(2-fluorophenoxy)acetyl]propanehydrazide
CID 51156370
(E)-3-(4-ethoxyphenyl)-N'-[2-(2-fluorophenoxy)acetyl]prop-2-enehydrazide
CID 9471919
1-[[(2S)-2-(2-fluorophenoxy)propanoyl]amino]-3-methylthiourea
CID 8767721
2-naphthalen-2-yloxy-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide
CID 6234718

Frequently Asked Questions

What is the IUPAC name of (2S)-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]-2-(2-fluorophenoxy)propanehydrazide?
The IUPAC name of (2S)-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]-2-(2-fluorophenoxy)propanehydrazide (CID 9373459) is (2S)-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]-2-(2-fluorophenoxy)propanehydrazide.
What is the SMILES notation for (2S)-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]-2-(2-fluorophenoxy)propanehydrazide?
The canonical SMILES for (2S)-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]-2-(2-fluorophenoxy)propanehydrazide is CCc1ccc(/C=C/C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cc1.
What is the InChIKey of (2S)-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]-2-(2-fluorophenoxy)propanehydrazide?
The InChIKey is SOKPUDUQEHKNLS-FNDVETGQSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-3-15-8-10-16(11-9-15)12-13-19(24)22-23-20(25)14(2)26-18-7-5-4-6-17(18)21/h4-14H,3H2,1-2H3,(H,22,24)(H,23,25)/b13-12+/t14-/m0/s1.
What are the key properties of (2S)-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]-2-(2-fluorophenoxy)propanehydrazide?
(2S)-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]-2-(2-fluorophenoxy)propanehydrazide has a molecular weight of 356.40 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]-2-(2-fluorophenoxy)propanehydrazide is sourced from PubChem (CID 9373459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).