(2R)-N'-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-2-(4-fluorophenoxy)propanehydrazide

C20H21FN2O5 — CID 9368256

IUPAC(2R)-N'-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-2-(4-fluorophenoxy)propanehydrazide
SMILESCOc1cccc(/C=C/C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)c1OC
InChIInChI=1S/C20H21FN2O5/c1-13(28-16-10-8-15(21)9-11-16)20(25)23-22-18(24)12-7-14-5-4-6-17(26-2)19(14)27-3/h4-13H,1-3H3,(H,22,24)(H,23,25)/b12-7+/t13-/m1/s1
InChIKeyHMOBLEQZKLCCHY-BWODNOAJSA-N
MW388.40 g/mol
LogP2.47
Rot. Bonds7

About (2R)-N'-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-2-(4-fluorophenoxy)propanehydrazide

(2R)-N'-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-2-(4-fluorophenoxy)propanehydrazide (PubChem CID 9368256) has the molecular formula C20H21FN2O5 and a molecular weight of 388.40 g/mol. Its IUPAC name is (2R)-N'-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-2-(4-fluorophenoxy)propanehydrazide.

Molecular Properties

Compound Name(2R)-N'-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-2-(4-fluorophenoxy)propanehydrazide
PubChem CID9368256
Molecular FormulaC20H21FN2O5
Molecular Weight388.40 g/mol
Exact Mass388.14
IUPAC Name(2R)-N'-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-2-(4-fluorophenoxy)propanehydrazide
SMILESCOc1cccc(/C=C/C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)c1OC
InChIInChI=1S/C20H21FN2O5/c1-13(28-16-10-8-15(21)9-11-16)20(25)23-22-18(24)12-7-14-5-4-6-17(26-2)19(14)27-3/h4-13H,1-3H3,(H,22,24)(H,23,25)/b12-7+/t13-/m1/s1
InChIKeyHMOBLEQZKLCCHY-BWODNOAJSA-N
XLogP2.47
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(4-fluorophenoxy)-N'-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]propanehydrazide
CID 9160111
1-[[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]amino]-3-(4-fluorophenyl)thiourea
CID 9469672
(2S)-2-(4-fluorophenoxy)-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]propanehydrazide
CID 9367296
N'-[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 24566001
N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 24638289
(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
(2S)-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-2-(4-methoxyphenoxy)propanehydrazide
CID 42091432
N'-[3-(2,3-dimethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 4789480
N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide
CID 55343921
(E)-3-(2,3-dimethoxyphenyl)-N',N'-dimethylprop-2-enehydrazide
CID 9163798
(2S)-N'-[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9091795

Frequently Asked Questions

What is the IUPAC name of (2R)-N'-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-2-(4-fluorophenoxy)propanehydrazide?
The IUPAC name of (2R)-N'-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-2-(4-fluorophenoxy)propanehydrazide (CID 9368256) is (2R)-N'-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-2-(4-fluorophenoxy)propanehydrazide.
What is the SMILES notation for (2R)-N'-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-2-(4-fluorophenoxy)propanehydrazide?
The canonical SMILES for (2R)-N'-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-2-(4-fluorophenoxy)propanehydrazide is COc1cccc(/C=C/C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)c1OC.
What is the InChIKey of (2R)-N'-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-2-(4-fluorophenoxy)propanehydrazide?
The InChIKey is HMOBLEQZKLCCHY-BWODNOAJSA-N. The full InChI is InChI=1S/C20H21FN2O5/c1-13(28-16-10-8-15(21)9-11-16)20(25)23-22-18(24)12-7-14-5-4-6-17(26-2)19(14)27-3/h4-13H,1-3H3,(H,22,24)(H,23,25)/b12-7+/t13-/m1/s1.
What are the key properties of (2R)-N'-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-2-(4-fluorophenoxy)propanehydrazide?
(2R)-N'-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-2-(4-fluorophenoxy)propanehydrazide has a molecular weight of 388.40 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-2-(4-fluorophenoxy)propanehydrazide is sourced from PubChem (CID 9368256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).