(E)-3-(4-fluorophenyl)-N'-(2-phenylacetyl)prop-2-enehydrazide

C17H15FN2O2 — CID 923626

IUPAC(E)-3-(4-fluorophenyl)-N'-(2-phenylacetyl)prop-2-enehydrazide
SMILESO=C(/C=C/c1ccc(F)cc1)NNC(=O)Cc1ccccc1
InChIInChI=1S/C17H15FN2O2/c18-15-9-6-13(7-10-15)8-11-16(21)19-20-17(22)12-14-4-2-1-3-5-14/h1-11H,12H2,(H,19,21)(H,20,22)/b11-8+
InChIKeyZNDHTIZGJSUYPO-DHZHZOJOSA-N
MW298.32 g/mol
LogP2.23
Rot. Bonds4

About (E)-3-(4-fluorophenyl)-N'-(2-phenylacetyl)prop-2-enehydrazide

(E)-3-(4-fluorophenyl)-N'-(2-phenylacetyl)prop-2-enehydrazide (PubChem CID 923626) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N'-(2-phenylacetyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N'-(2-phenylacetyl)prop-2-enehydrazide
PubChem CID923626
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name(E)-3-(4-fluorophenyl)-N'-(2-phenylacetyl)prop-2-enehydrazide
SMILESO=C(/C=C/c1ccc(F)cc1)NNC(=O)Cc1ccccc1
InChIInChI=1S/C17H15FN2O2/c18-15-9-6-13(7-10-15)8-11-16(21)19-20-17(22)12-14-4-2-1-3-5-14/h1-11H,12H2,(H,19,21)(H,20,22)/b11-8+
InChIKeyZNDHTIZGJSUYPO-DHZHZOJOSA-N
XLogP2.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-benzyl-4-[2-[3-(4-fluorophenyl)prop-2-enoyl]hydrazinyl]-4-oxobutanamide
CID 3414927
(E)-3-[4-(azepan-1-yl)phenyl]-N'-[2-(4-fluorophenyl)acetyl]prop-2-enehydrazide
CID 9161760
3-(4-fluorophenyl)-N-[(3-phenylpropanoylamino)carbamothioyl]prop-2-enamide
CID 3474570
CID 59416194
CID 59416194
3-(dimethylamino)-N'-[(E)-3-(4-fluorophenyl)prop-2-enoyl]propanehydrazide
CID 9417640
(E)-N'-(2-phenylacetyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide
CID 24637532
1-(4-fluorophenyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]thiourea
CID 9469508
3-(4-fluorophenyl)-N'-[2-(4-methoxyphenoxy)acetyl]prop-2-enehydrazide
CID 4294808
N-[4-[[3-(4-fluorophenyl)prop-2-enoylamino]carbamoyl]phenyl]benzamide
CID 3299354
N'-[2-(4-fluorophenyl)acetyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbohydrazide
CID 43005507
(E)-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide
CID 7758290
2-cyano-N'-(3-phenylprop-2-enoyl)acetohydrazide
CID 582984

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N'-(2-phenylacetyl)prop-2-enehydrazide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N'-(2-phenylacetyl)prop-2-enehydrazide (CID 923626) is (E)-3-(4-fluorophenyl)-N'-(2-phenylacetyl)prop-2-enehydrazide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N'-(2-phenylacetyl)prop-2-enehydrazide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N'-(2-phenylacetyl)prop-2-enehydrazide is O=C(/C=C/c1ccc(F)cc1)NNC(=O)Cc1ccccc1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N'-(2-phenylacetyl)prop-2-enehydrazide?
The InChIKey is ZNDHTIZGJSUYPO-DHZHZOJOSA-N. The full InChI is InChI=1S/C17H15FN2O2/c18-15-9-6-13(7-10-15)8-11-16(21)19-20-17(22)12-14-4-2-1-3-5-14/h1-11H,12H2,(H,19,21)(H,20,22)/b11-8+.
What are the key properties of (E)-3-(4-fluorophenyl)-N'-(2-phenylacetyl)prop-2-enehydrazide?
(E)-3-(4-fluorophenyl)-N'-(2-phenylacetyl)prop-2-enehydrazide has a molecular weight of 298.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N'-(2-phenylacetyl)prop-2-enehydrazide is sourced from PubChem (CID 923626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).