(4-phenylphenyl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate

C24H19NO3 — CID 16603246

IUPAC(4-phenylphenyl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate
SMILESC=C1c2ccccc2C(=O)N1CC(=O)OCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H19NO3/c1-17-21-9-5-6-10-22(21)24(27)25(17)15-23(26)28-16-18-11-13-20(14-12-18)19-7-3-2-4-8-19/h2-14H,1,15-16H2
InChIKeyPILMGDKKAYDYDX-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.52
Rot. Bonds5

About (4-phenylphenyl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate

(4-phenylphenyl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate (PubChem CID 16603246) has the molecular formula C24H19NO3 and a molecular weight of 369.42 g/mol. Its IUPAC name is (4-phenylphenyl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate.

Molecular Properties

Compound Name(4-phenylphenyl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate
PubChem CID16603246
Molecular FormulaC24H19NO3
Molecular Weight369.42 g/mol
Exact Mass369.14
IUPAC Name(4-phenylphenyl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate
SMILESC=C1c2ccccc2C(=O)N1CC(=O)OCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H19NO3/c1-17-21-9-5-6-10-22(21)24(27)25(17)15-23(26)28-16-18-11-13-20(14-12-18)19-7-3-2-4-8-19/h2-14H,1,15-16H2
InChIKeyPILMGDKKAYDYDX-UHFFFAOYSA-N
XLogP4.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1,3-diphenylpyrazol-4-yl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate
CID 24600453
(4-nitrophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)acetate
CID 800656
(3-methyl-1,2-oxazol-5-yl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate
CID 16603276
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate
CID 16603256
2-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenylphenyl)acetamide
CID 17419674
benzyl 1,3-dioxo-2-(2-oxo-2-phenylmethoxyethyl)isoindole-5-carboxylate
CID 1310453
(4-phenylphenyl)methyl carbamate
CID 123751479
[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate
CID 31532566
2-(1-methylidene-3-oxoisoindol-2-yl)ethanethioamide
CID 143782156
(4-phenylphenyl)methyl (2R)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate
CID 22748086
(4-phenylphenyl)methyl 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7794225
benzyl 2-[5-(methylsulfonylmethyl)-1,3-dioxoisoindol-2-yl]acetate
CID 158961334

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate?
The IUPAC name of (4-phenylphenyl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate (CID 16603246) is (4-phenylphenyl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate.
What is the SMILES notation for (4-phenylphenyl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate?
The canonical SMILES for (4-phenylphenyl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate is C=C1c2ccccc2C(=O)N1CC(=O)OCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (4-phenylphenyl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate?
The InChIKey is PILMGDKKAYDYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO3/c1-17-21-9-5-6-10-22(21)24(27)25(17)15-23(26)28-16-18-11-13-20(14-12-18)19-7-3-2-4-8-19/h2-14H,1,15-16H2.
What are the key properties of (4-phenylphenyl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate?
(4-phenylphenyl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate has a molecular weight of 369.42 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate is sourced from PubChem (CID 16603246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).