(4-fluorophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)propanoate

C18H14FNO4 — CID 3559613

IUPAC(4-fluorophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)propanoate
SMILESCC(C(=O)OCc1ccc(F)cc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H14FNO4/c1-11(18(23)24-10-12-6-8-13(19)9-7-12)20-16(21)14-4-2-3-5-15(14)17(20)22/h2-9,11H,10H2,1H3
InChIKeyHMCYVGLNUXANOS-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.55
Rot. Bonds4

About (4-fluorophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)propanoate

(4-fluorophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)propanoate (PubChem CID 3559613) has the molecular formula C18H14FNO4 and a molecular weight of 327.31 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)propanoate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)propanoate
PubChem CID3559613
Molecular FormulaC18H14FNO4
Molecular Weight327.31 g/mol
Exact Mass327.09
IUPAC Name(4-fluorophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)propanoate
SMILESCC(C(=O)OCc1ccc(F)cc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H14FNO4/c1-11(18(23)24-10-12-6-8-13(19)9-7-12)20-16(21)14-4-2-3-5-15(14)17(20)22/h2-9,11H,10H2,1H3
InChIKeyHMCYVGLNUXANOS-UHFFFAOYSA-N
XLogP2.55
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-fluorophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-propan-2-ylphenyl)methyl (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926839
[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8749844
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926677
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 8003176
(3,4,5-trimethoxyphenyl)methyl (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 9095643
2-oxopropyl 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 42970136
naphthalen-1-ylmethyl (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 2597031
(4-phenylphenyl)methyl (2R)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate
CID 22748086
methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-(4-fluorophenyl)propanoate
CID 146201481
(4-chlorophenyl)methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate
CID 7533799
cyanomethyl (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 2597534
propan-2-yl 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 75674147

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)propanoate?
The IUPAC name of (4-fluorophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)propanoate (CID 3559613) is (4-fluorophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)propanoate.
What is the SMILES notation for (4-fluorophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)propanoate?
The canonical SMILES for (4-fluorophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)propanoate is CC(C(=O)OCc1ccc(F)cc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of (4-fluorophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)propanoate?
The InChIKey is HMCYVGLNUXANOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO4/c1-11(18(23)24-10-12-6-8-13(19)9-7-12)20-16(21)14-4-2-3-5-15(14)17(20)22/h2-9,11H,10H2,1H3.
What are the key properties of (4-fluorophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)propanoate?
(4-fluorophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)propanoate has a molecular weight of 327.31 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)propanoate is sourced from PubChem (CID 3559613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).