N-[(Z)-1-(4-fluorophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]acetamide

C11H12FN3O2 — CID 134104686

IUPACN-[(Z)-1-(4-fluorophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]acetamide
SMILESCC(=O)N/C(=C\c1ccc(F)cc1)C(=O)NN
InChIInChI=1S/C11H12FN3O2/c1-7(16)14-10(11(17)15-13)6-8-2-4-9(12)5-3-8/h2-6H,13H2,1H3,(H,14,16)(H,15,17)/b10-6-
InChIKeyNNTMQYYYYXJUEE-POHAHGRESA-N
MW237.23 g/mol
LogP0.29
Rot. Bonds3

About N-[(Z)-1-(4-fluorophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]acetamide

N-[(Z)-1-(4-fluorophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]acetamide (PubChem CID 134104686) has the molecular formula C11H12FN3O2 and a molecular weight of 237.23 g/mol. Its IUPAC name is N-[(Z)-1-(4-fluorophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-fluorophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]acetamide
PubChem CID134104686
Molecular FormulaC11H12FN3O2
Molecular Weight237.23 g/mol
Exact Mass237.09
IUPAC NameN-[(Z)-1-(4-fluorophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]acetamide
SMILESCC(=O)N/C(=C\c1ccc(F)cc1)C(=O)NN
InChIInChI=1S/C11H12FN3O2/c1-7(16)14-10(11(17)15-13)6-8-2-4-9(12)5-3-8/h2-6H,13H2,1H3,(H,14,16)(H,15,17)/b10-6-
InChIKeyNNTMQYYYYXJUEE-POHAHGRESA-N
XLogP0.29
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydrazinyl-3-oxo-1-phenylprop-1-en-2-yl)acetamide
CID 53412410
(E)-2-acetamido-3-(4-fluorophenyl)prop-2-enoic acid
CID 5399285
2-[[2-acetamido-3-(4-fluorophenyl)prop-2-enoyl]amino]pentanedioic acid
CID 2837463
2-[[2-acetamido-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylsulfanylbutanoic acid
CID 2897825
N-[(Z)-1-dimethoxyphosphoryl-2-(4-fluorophenyl)ethenyl]acetamide
CID 101186294
(2R)-2-[[(Z)-2-acetamido-3-(4-fluorophenyl)prop-2-enoyl]amino]-3-phenylpropanoate
CID 7237806
N-[(Z)-3-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]acetamide
CID 8942207
2-(4-fluorophenoxy)ethyl (E)-2-acetamido-3-phenylprop-2-enoate
CID 2537158
(2S)-1-[(Z)-2-acetamido-3-(4-fluorophenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid
CID 7438700
N-[1-(4-bromophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 1365829
1-N,4-N-bis[(E)-1-(4-fluorophenyl)-3-oxo-3-(propylamino)prop-1-en-2-yl]benzene-1,4-dicarboxamide
CID 175665274
2-acetamido-N-(4-acetamidophenyl)-3-phenylprop-2-enamide
CID 3527723

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-fluorophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]acetamide?
The IUPAC name of N-[(Z)-1-(4-fluorophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]acetamide (CID 134104686) is N-[(Z)-1-(4-fluorophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]acetamide.
What is the SMILES notation for N-[(Z)-1-(4-fluorophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]acetamide?
The canonical SMILES for N-[(Z)-1-(4-fluorophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]acetamide is CC(=O)N/C(=C\c1ccc(F)cc1)C(=O)NN.
What is the InChIKey of N-[(Z)-1-(4-fluorophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]acetamide?
The InChIKey is NNTMQYYYYXJUEE-POHAHGRESA-N. The full InChI is InChI=1S/C11H12FN3O2/c1-7(16)14-10(11(17)15-13)6-8-2-4-9(12)5-3-8/h2-6H,13H2,1H3,(H,14,16)(H,15,17)/b10-6-.
What are the key properties of N-[(Z)-1-(4-fluorophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]acetamide?
N-[(Z)-1-(4-fluorophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]acetamide has a molecular weight of 237.23 g/mol, XLogP of 0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-fluorophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]acetamide is sourced from PubChem (CID 134104686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).