prop-2-enyl 2-(benzhydrylideneamino)-2-(4-fluorophenyl)acetate

C24H20FNO2 — CID 101401206

IUPACprop-2-enyl 2-(benzhydrylideneamino)-2-(4-fluorophenyl)acetate
SMILESC=CCOC(=O)C(N=C(c1ccccc1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C24H20FNO2/c1-2-17-28-24(27)23(20-13-15-21(25)16-14-20)26-22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h2-16,23H,1,17H2
InChIKeyMKFIYRUFZOWURQ-UHFFFAOYSA-N
MW373.43 g/mol
LogP5.13
Rot. Bonds7

About prop-2-enyl 2-(benzhydrylideneamino)-2-(4-fluorophenyl)acetate

prop-2-enyl 2-(benzhydrylideneamino)-2-(4-fluorophenyl)acetate (PubChem CID 101401206) has the molecular formula C24H20FNO2 and a molecular weight of 373.43 g/mol. Its IUPAC name is prop-2-enyl 2-(benzhydrylideneamino)-2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Nameprop-2-enyl 2-(benzhydrylideneamino)-2-(4-fluorophenyl)acetate
PubChem CID101401206
Molecular FormulaC24H20FNO2
Molecular Weight373.43 g/mol
Exact Mass373.15
IUPAC Nameprop-2-enyl 2-(benzhydrylideneamino)-2-(4-fluorophenyl)acetate
SMILESC=CCOC(=O)C(N=C(c1ccccc1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C24H20FNO2/c1-2-17-28-24(27)23(20-13-15-21(25)16-14-20)26-22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h2-16,23H,1,17H2
InChIKeyMKFIYRUFZOWURQ-UHFFFAOYSA-N
XLogP5.13
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.43
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,4-Diphenyl-1,3-oxazol-5(4h)-one
CID 223025
Ethyl 2-[(diphenylmethylidene)amino]-5,5,6,6,7,7,8,8,8-nonafluorooctanoate
CID 14369844
2,4,4-Triphenyl-2-oxazolin-5-one
CID 680472
Tert-butyl 2-(benzhydrylideneamino)-3-(4-fluorophenyl)propanoate
CID 72791760
Methyl 2-phenyl-2-[(phenylmethylene)amino]acetate
CID 3714052
Rac-methyl-n-(diphenylmethylene)phenylalaninate
CID 11142452
methyl N-benzhydrylidenephenylglycinate
CID 11151629
tert-butyl (2S)-2-(benzhydrylideneamino)-3-(4-fluorophenyl)propanoate
CID 11304230
Ethyl 2-(benzhydrylideneamino)-2-[4-(trifluoromethyl)phenyl]acetate
CID 101131683
4-benzyl-2-(4-fluorophenyl)-4H-1,3-oxazol-5-one
CID 132969724
methyl (2S,3R)-2-(benzhydrylideneamino)-3-(3-fluorophenyl)-3-(prop-2-enylideneamino)propanoate
CID 134938870
methyl (2S,3R)-2-(benzhydrylideneamino)-3-(2-fluorophenyl)-3-(prop-2-enylideneamino)propanoate
CID 134938871

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-(benzhydrylideneamino)-2-(4-fluorophenyl)acetate?
The IUPAC name of prop-2-enyl 2-(benzhydrylideneamino)-2-(4-fluorophenyl)acetate (CID 101401206) is prop-2-enyl 2-(benzhydrylideneamino)-2-(4-fluorophenyl)acetate.
What is the SMILES notation for prop-2-enyl 2-(benzhydrylideneamino)-2-(4-fluorophenyl)acetate?
The canonical SMILES for prop-2-enyl 2-(benzhydrylideneamino)-2-(4-fluorophenyl)acetate is C=CCOC(=O)C(N=C(c1ccccc1)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of prop-2-enyl 2-(benzhydrylideneamino)-2-(4-fluorophenyl)acetate?
The InChIKey is MKFIYRUFZOWURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FNO2/c1-2-17-28-24(27)23(20-13-15-21(25)16-14-20)26-22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h2-16,23H,1,17H2.
What are the key properties of prop-2-enyl 2-(benzhydrylideneamino)-2-(4-fluorophenyl)acetate?
prop-2-enyl 2-(benzhydrylideneamino)-2-(4-fluorophenyl)acetate has a molecular weight of 373.43 g/mol, XLogP of 5.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-(benzhydrylideneamino)-2-(4-fluorophenyl)acetate is sourced from PubChem (CID 101401206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).