2-[4-[bis(prop-2-enyl)amino]phenyl]-1-(4-fluorophenyl)-2-hydroxyethanone

C20H20FNO2 — CID 89146696

IUPAC2-[4-[bis(prop-2-enyl)amino]phenyl]-1-(4-fluorophenyl)-2-hydroxyethanone
SMILESC=CCN(CC=C)c1ccc(C(O)C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H20FNO2/c1-3-13-22(14-4-2)18-11-7-16(8-12-18)20(24)19(23)15-5-9-17(21)10-6-15/h3-12,20,24H,1-2,13-14H2
InChIKeyDVOFXTONDQLKCN-UHFFFAOYSA-N
MW325.38 g/mol
LogP3.92
Rot. Bonds8

About 2-[4-[bis(prop-2-enyl)amino]phenyl]-1-(4-fluorophenyl)-2-hydroxyethanone

2-[4-[bis(prop-2-enyl)amino]phenyl]-1-(4-fluorophenyl)-2-hydroxyethanone (PubChem CID 89146696) has the molecular formula C20H20FNO2 and a molecular weight of 325.38 g/mol. Its IUPAC name is 2-[4-[bis(prop-2-enyl)amino]phenyl]-1-(4-fluorophenyl)-2-hydroxyethanone.

Molecular Properties

Compound Name2-[4-[bis(prop-2-enyl)amino]phenyl]-1-(4-fluorophenyl)-2-hydroxyethanone
PubChem CID89146696
Molecular FormulaC20H20FNO2
Molecular Weight325.38 g/mol
Exact Mass325.15
IUPAC Name2-[4-[bis(prop-2-enyl)amino]phenyl]-1-(4-fluorophenyl)-2-hydroxyethanone
SMILESC=CCN(CC=C)c1ccc(C(O)C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H20FNO2/c1-3-13-22(14-4-2)18-11-7-16(8-12-18)20(24)19(23)15-5-9-17(21)10-6-15/h3-12,20,24H,1-2,13-14H2
InChIKeyDVOFXTONDQLKCN-UHFFFAOYSA-N
XLogP3.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-2-hydroxy-N-prop-2-enylacetamide
CID 82126666
methyl 4-[bis(prop-2-enyl)amino]benzoate
CID 11806509
4-[[4-[bis(prop-2-enyl)amino]phenyl]diazenyl]benzoic acid
CID 87986798
4-[[4-[bis(prop-2-enyl)amino]phenyl]-phenylmethyl]-N,N-bis(prop-2-enyl)aniline
CID 70463488
2-hydroxy-1,2-diphenylethanone;prop-2-enoic acid
CID 57368066
3-[[bis(prop-2-enyl)amino]methyl]-4-(4-fluorophenyl)-4-oxobutanoic acid
CID 82098864
1-(1,3-benzodioxol-5-yl)-2-(4-fluorophenyl)-2-hydroxyethanone
CID 54204893
(1S)-1-[4-[2-hydroxyethyl(prop-2-enyl)amino]phenyl]ethanol
CID 104869553
1,3-bis(4-fluorophenyl)-3-hydroxy-2-methylpropan-1-one
CID 75056323
3-[(4-fluorobenzoyl)-prop-2-enylamino]-2-methylpropanoic acid
CID 82324895
3-(4-acetyl-N-prop-2-enylanilino)propanoic acid
CID 82317530
1-[4-[2-hydroxyethyl(prop-2-enyl)amino]phenyl]propan-1-ol
CID 114066920

Frequently Asked Questions

What is the IUPAC name of 2-[4-[bis(prop-2-enyl)amino]phenyl]-1-(4-fluorophenyl)-2-hydroxyethanone?
The IUPAC name of 2-[4-[bis(prop-2-enyl)amino]phenyl]-1-(4-fluorophenyl)-2-hydroxyethanone (CID 89146696) is 2-[4-[bis(prop-2-enyl)amino]phenyl]-1-(4-fluorophenyl)-2-hydroxyethanone.
What is the SMILES notation for 2-[4-[bis(prop-2-enyl)amino]phenyl]-1-(4-fluorophenyl)-2-hydroxyethanone?
The canonical SMILES for 2-[4-[bis(prop-2-enyl)amino]phenyl]-1-(4-fluorophenyl)-2-hydroxyethanone is C=CCN(CC=C)c1ccc(C(O)C(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[4-[bis(prop-2-enyl)amino]phenyl]-1-(4-fluorophenyl)-2-hydroxyethanone?
The InChIKey is DVOFXTONDQLKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO2/c1-3-13-22(14-4-2)18-11-7-16(8-12-18)20(24)19(23)15-5-9-17(21)10-6-15/h3-12,20,24H,1-2,13-14H2.
What are the key properties of 2-[4-[bis(prop-2-enyl)amino]phenyl]-1-(4-fluorophenyl)-2-hydroxyethanone?
2-[4-[bis(prop-2-enyl)amino]phenyl]-1-(4-fluorophenyl)-2-hydroxyethanone has a molecular weight of 325.38 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[bis(prop-2-enyl)amino]phenyl]-1-(4-fluorophenyl)-2-hydroxyethanone is sourced from PubChem (CID 89146696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).