(2Z)-1-(2,4-difluorophenyl)-2-(4-phenylimidazolidin-2-ylidene)ethanone

C17H14F2N2O — CID 59995881

IUPAC(2Z)-1-(2,4-difluorophenyl)-2-(4-phenylimidazolidin-2-ylidene)ethanone
SMILESO=C(/C=C1/NCC(c2ccccc2)N1)c1ccc(F)cc1F
InChIInChI=1S/C17H14F2N2O/c18-12-6-7-13(14(19)8-12)16(22)9-17-20-10-15(21-17)11-4-2-1-3-5-11/h1-9,15,20-21H,10H2/b17-9-
InChIKeyBQEJNAVRPWIZDD-MFOYZWKCSA-N
MW300.31 g/mol
LogP2.92
Rot. Bonds3

About (2Z)-1-(2,4-difluorophenyl)-2-(4-phenylimidazolidin-2-ylidene)ethanone

(2Z)-1-(2,4-difluorophenyl)-2-(4-phenylimidazolidin-2-ylidene)ethanone (PubChem CID 59995881) has the molecular formula C17H14F2N2O and a molecular weight of 300.31 g/mol. Its IUPAC name is (2Z)-1-(2,4-difluorophenyl)-2-(4-phenylimidazolidin-2-ylidene)ethanone.

Molecular Properties

Compound Name(2Z)-1-(2,4-difluorophenyl)-2-(4-phenylimidazolidin-2-ylidene)ethanone
PubChem CID59995881
Molecular FormulaC17H14F2N2O
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name(2Z)-1-(2,4-difluorophenyl)-2-(4-phenylimidazolidin-2-ylidene)ethanone
SMILESO=C(/C=C1/NCC(c2ccccc2)N1)c1ccc(F)cc1F
InChIInChI=1S/C17H14F2N2O/c18-12-6-7-13(14(19)8-12)16(22)9-17-20-10-15(21-17)11-4-2-1-3-5-11/h1-9,15,20-21H,10H2/b17-9-
InChIKeyBQEJNAVRPWIZDD-MFOYZWKCSA-N
XLogP2.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 11703413
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CID 2245725
3-[(4-Fluorobenzyl)amino]-1-phenyl-2-buten-1-one
CID 5732095
1-Phenyl-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone
CID 763506
1-(4-Fluoro-phenyl)-2-imidazolidin-2-ylidene-ethanone
CID 11217994
5-benzoyl-4-(4-fluorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 2881613
2-Fluoro-N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-YL)propyl]benzamide
CID 71784647
(4-fluorophenyl)-[4-(4-fluorophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]methanone
CID 177698413
[4-(4-fluorophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-phenylmethanone
CID 177698525
5-Benzoyl-2-oxo-6-(1,1,2,2-tetrafluoroethyl)-4-phenyl-1,2,3,4-tetrahydropyrimidine
CID 15517194
4-Methyl-2-phenacyl-2-trifluoromethylimidazolidine
CID 15397104
2-Phenacyl-2,4-bis(trifluoromethyl)imidazolidine
CID 129814248

Frequently Asked Questions

What is the IUPAC name of (2Z)-1-(2,4-difluorophenyl)-2-(4-phenylimidazolidin-2-ylidene)ethanone?
The IUPAC name of (2Z)-1-(2,4-difluorophenyl)-2-(4-phenylimidazolidin-2-ylidene)ethanone (CID 59995881) is (2Z)-1-(2,4-difluorophenyl)-2-(4-phenylimidazolidin-2-ylidene)ethanone.
What is the SMILES notation for (2Z)-1-(2,4-difluorophenyl)-2-(4-phenylimidazolidin-2-ylidene)ethanone?
The canonical SMILES for (2Z)-1-(2,4-difluorophenyl)-2-(4-phenylimidazolidin-2-ylidene)ethanone is O=C(/C=C1/NCC(c2ccccc2)N1)c1ccc(F)cc1F.
What is the InChIKey of (2Z)-1-(2,4-difluorophenyl)-2-(4-phenylimidazolidin-2-ylidene)ethanone?
The InChIKey is BQEJNAVRPWIZDD-MFOYZWKCSA-N. The full InChI is InChI=1S/C17H14F2N2O/c18-12-6-7-13(14(19)8-12)16(22)9-17-20-10-15(21-17)11-4-2-1-3-5-11/h1-9,15,20-21H,10H2/b17-9-.
What are the key properties of (2Z)-1-(2,4-difluorophenyl)-2-(4-phenylimidazolidin-2-ylidene)ethanone?
(2Z)-1-(2,4-difluorophenyl)-2-(4-phenylimidazolidin-2-ylidene)ethanone has a molecular weight of 300.31 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-(2,4-difluorophenyl)-2-(4-phenylimidazolidin-2-ylidene)ethanone is sourced from PubChem (CID 59995881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).