(1,3-dioxoisoindol-2-yl) benzoate;(1,3-dioxoisoindol-2-yl) 3,5-bis(trifluoromethyl)benzoate;(1,3-dioxoisoindol-2-yl) cyclohexanecarboxylate;(1,3-dioxoisoindol-2-yl) 2,2-diphenylacetate;(1,3-dioxoisoindol-2-yl) 2-methoxybenzoate;(1,3-dioxoisoindol-2-yl) 2-methylbenzoate;(1,3-dioxoisoindol-2-yl) morpholine-4-carboxylate;(1,3-dioxoisoindol-2-yl) phenyl carbonate

C129H89F6N9O35 — CID 161477796

IUPAC(1,3-dioxoisoindol-2-yl) benzoate;(1,3-dioxoisoindol-2-yl) 3,5-bis(trifluoromethyl)benzoate;(1,3-dioxoisoindol-2-yl) cyclohexanecarboxylate;(1,3-dioxoisoindol-2-yl) 2,2-diphenylacetate;(1,3-dioxoisoindol-2-yl) 2-methoxybenzoate;(1,3-dioxoisoindol-2-yl) 2-methylbenzoate;(1,3-dioxoisoindol-2-yl) morpholine-4-carboxylate;(1,3-dioxoisoindol-2-yl) phenyl carbonate
SMILESCOc1ccccc1C(=O)ON1C(=O)c2ccccc2C1=O.Cc1ccccc1C(=O)ON1C(=O)c2ccccc2C1=O.O=C(ON1C(=O)c2ccccc2C1=O)C(c1ccccc1)c1ccccc1.O=C(ON1C(=O)c2ccccc2C1=O)C1CCCCC1.O=C(ON1C(=O)c2ccccc2C1=O)N1CCOCC1.O=C(ON1C(=O)c2ccccc2C1=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.O=C(ON1C(=O)c2ccccc2C1=O)c1ccccc1.O=C(Oc1ccccc1)ON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H15NO4.C17H7F6NO4.C16H11NO5.C16H11NO4.C15H9NO5.C15H15NO4.C15H9NO4.C13H12N2O5/c24-20-17-13-7-8-14-18(17)21(25)23(20)27-22(26)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16;18-16(19,20)9-5-8(6-10(7-9)17(21,22)23)15(27)28-24-13(25)11-3-1-2-4-12(11)14(24)26;1-21-13-9-5-4-8-12(13)16(20)22-17-14(18)10-6-2-3-7-11(10)15(17)19;1-10-6-2-3-7-11(10)16(20)21-17-14(18)12-8-4-5-9-13(12)15(17)19;17-13-11-8-4-5-9-12(11)14(18)16(13)21-15(19)20-10-6-2-1-3-7-10;2*17-13-11-8-4-5-9-12(11)14(18)16(13)20-15(19)10-6-2-1-3-7-10;16-11-9-3-1-2-4-10(9)12(17)15(11)20-13(18)14-5-7-19-8-6-14/h1-14,19H;1-7H;2-9H,1H3;2-9H,1H3;1-9H;4-5,8-10H,1-3,6-7H2;1-9H;1-4H,5-8H2
InChIKeyWDYHKVPNVIPEIH-UHFFFAOYSA-N
MW2439.15 g/mol
LogP19.55
Rot. Bonds18

About (1,3-dioxoisoindol-2-yl) benzoate;(1,3-dioxoisoindol-2-yl) 3,5-bis(trifluoromethyl)benzoate;(1,3-dioxoisoindol-2-yl) cyclohexanecarboxylate;(1,3-dioxoisoindol-2-yl) 2,2-diphenylacetate;(1,3-dioxoisoindol-2-yl) 2-methoxybenzoate;(1,3-dioxoisoindol-2-yl) 2-methylbenzoate;(1,3-dioxoisoindol-2-yl) morpholine-4-carboxylate;(1,3-dioxoisoindol-2-yl) phenyl carbonate

(1,3-dioxoisoindol-2-yl) benzoate;(1,3-dioxoisoindol-2-yl) 3,5-bis(trifluoromethyl)benzoate;(1,3-dioxoisoindol-2-yl) cyclohexanecarboxylate;(1,3-dioxoisoindol-2-yl) 2,2-diphenylacetate;(1,3-dioxoisoindol-2-yl) 2-methoxybenzoate;(1,3-dioxoisoindol-2-yl) 2-methylbenzoate;(1,3-dioxoisoindol-2-yl) morpholine-4-carboxylate;(1,3-dioxoisoindol-2-yl) phenyl carbonate (PubChem CID 161477796) has the molecular formula C129H89F6N9O35 and a molecular weight of 2439.15 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl) benzoate;(1,3-dioxoisoindol-2-yl) 3,5-bis(trifluoromethyl)benzoate;(1,3-dioxoisoindol-2-yl) cyclohexanecarboxylate;(1,3-dioxoisoindol-2-yl) 2,2-diphenylacetate;(1,3-dioxoisoindol-2-yl) 2-methoxybenzoate;(1,3-dioxoisoindol-2-yl) 2-methylbenzoate;(1,3-dioxoisoindol-2-yl) morpholine-4-carboxylate;(1,3-dioxoisoindol-2-yl) phenyl carbonate.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl) benzoate;(1,3-dioxoisoindol-2-yl) 3,5-bis(trifluoromethyl)benzoate;(1,3-dioxoisoindol-2-yl) cyclohexanecarboxylate;(1,3-dioxoisoindol-2-yl) 2,2-diphenylacetate;(1,3-dioxoisoindol-2-yl) 2-methoxybenzoate;(1,3-dioxoisoindol-2-yl) 2-methylbenzoate;(1,3-dioxoisoindol-2-yl) morpholine-4-carboxylate;(1,3-dioxoisoindol-2-yl) phenyl carbonate
PubChem CID161477796
Molecular FormulaC129H89F6N9O35
Molecular Weight2439.15 g/mol
Exact Mass2437.54
IUPAC Name(1,3-dioxoisoindol-2-yl) benzoate;(1,3-dioxoisoindol-2-yl) 3,5-bis(trifluoromethyl)benzoate;(1,3-dioxoisoindol-2-yl) cyclohexanecarboxylate;(1,3-dioxoisoindol-2-yl) 2,2-diphenylacetate;(1,3-dioxoisoindol-2-yl) 2-methoxybenzoate;(1,3-dioxoisoindol-2-yl) 2-methylbenzoate;(1,3-dioxoisoindol-2-yl) morpholine-4-carboxylate;(1,3-dioxoisoindol-2-yl) phenyl carbonate
SMILESCOc1ccccc1C(=O)ON1C(=O)c2ccccc2C1=O.Cc1ccccc1C(=O)ON1C(=O)c2ccccc2C1=O.O=C(ON1C(=O)c2ccccc2C1=O)C(c1ccccc1)c1ccccc1.O=C(ON1C(=O)c2ccccc2C1=O)C1CCCCC1.O=C(ON1C(=O)c2ccccc2C1=O)N1CCOCC1.O=C(ON1C(=O)c2ccccc2C1=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.O=C(ON1C(=O)c2ccccc2C1=O)c1ccccc1.O=C(Oc1ccccc1)ON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H15NO4.C17H7F6NO4.C16H11NO5.C16H11NO4.C15H9NO5.C15H15NO4.C15H9NO4.C13H12N2O5/c24-20-17-13-7-8-14-18(17)21(25)23(20)27-22(26)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16;18-16(19,20)9-5-8(6-10(7-9)17(21,22)23)15(27)28-24-13(25)11-3-1-2-4-12(11)14(24)26;1-21-13-9-5-4-8-12(13)16(20)22-17-14(18)10-6-2-3-7-11(10)15(17)19;1-10-6-2-3-7-11(10)16(20)21-17-14(18)12-8-4-5-9-13(12)15(17)19;17-13-11-8-4-5-9-12(11)14(18)16(13)21-15(19)20-10-6-2-1-3-7-10;2*17-13-11-8-4-5-9-12(11)14(18)16(13)20-15(19)10-6-2-1-3-7-10;16-11-9-3-1-2-4-10(9)12(17)15(11)20-13(18)14-5-7-19-8-6-14/h1-14,19H;1-7H;2-9H,1H3;2-9H,1H3;1-9H;4-5,8-10H,1-3,6-7H2;1-9H;1-4H,5-8H2
InChIKeyWDYHKVPNVIPEIH-UHFFFAOYSA-N
XLogP19.55
TPSA540.37 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds18
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002439.15
LogP ≤ 519.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze (1,3-dioxoisoindol-2-yl) benzoate;(1,3-dioxoisoindol-2-yl) 3,5-bis(trifluoromethyl)benzoate;(1,3-dioxoisoindol-2-yl) cyclohexanecarboxylate;(1,3-dioxoisoindol-2-yl) 2,2-diphenylacetate;(1,3-dioxoisoindol-2-yl) 2-methoxybenzoate;(1,3-dioxoisoindol-2-yl) 2-methylbenzoate;(1,3-dioxoisoindol-2-yl) morpholine-4-carboxylate;(1,3-dioxoisoindol-2-yl) phenyl carbonate 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

(1,3-Dioxoisoindol-2-yl) benzoate;(1,3-dioxoisoindol-2-yl) 2,4-bis(trifluoromethyl)benzoate;(1,3-dioxoisoindol-2-yl) cyclohexanecarboxylate;(1,3-dioxoisoindol-2-yl) 2,4-dichlorobenzoate;(1,3-dioxoisoindol-2-yl) 2-ethylhexanoate;(1,3-dioxoisoindol-2-yl) 2-methylbenzoate;(1,3-dioxoisoindol-2-yl) morpholine-4-carboxylate;(1,3-dioxoisoindol-2-yl) 3-oxobutanoate;(1,3-dioxoisoindol-2-yl) phenyl carbonate
CID 158408122
(1,3-dioxobenzo[de]isoquinolin-2-yl) acetate;(1,3-dioxoisoindol-2-yl) 3,5-bis(trifluoromethyl)benzoate;(1,3-dioxoisoindol-2-yl) cyclohexanecarboxylate;(1,3-dioxoisoindol-2-yl) 2,2-diphenylacetate;(1,3-dioxoisoindol-2-yl) 2-methoxybenzoate;(1,3-dioxoisoindol-2-yl) 2-methylbenzoate;(1,3-dioxoisoindol-2-yl) morpholine-4-carboxylate;(1,3-dioxoisoindol-2-yl) N-phenylcarbamate
CID 158867532
(1,3-Dioxoisoindol-2-yl) benzoate;(1,3-dioxoisoindol-2-yl) 3,5-bis(trifluoromethyl)benzoate;(1,3-dioxoisoindol-2-yl) cyclohexanecarboxylate;(1,3-dioxoisoindol-2-yl) 2,2-diphenylacetate;(1,3-dioxoisoindol-2-yl) 2-methoxybenzoate;(1,3-dioxoisoindol-2-yl) 2-methylbenzoate;(1,3-dioxoisoindol-2-yl) morpholine-4-carboxylate;(1,3-dioxoisoindol-2-yl) 3-oxobutanoate;(1,3-dioxoisoindol-2-yl) phenyl carbonate
CID 162258278
Ethane;2-ethyl-5-[[4-[5-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]phenyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[8-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]phenyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[4-[4-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]phenyl]phenyl]cyclohexyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[3-[4-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]phenyl]-5-phenylphenyl]phenyl]methyl]isoindole-1,3-dione
CID 160705992
Ethane;2-ethyl-5-[[4-[5-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]phenyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[8-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]phenyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[4-[4-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]phenyl]phenyl]cyclohexyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[3-[4-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]phenyl]-5-phenylphenyl]phenyl]methyl]isoindole-1,3-dione
CID 163854125

Frequently Asked Questions

What is the IUPAC name of (1,3-dioxoisoindol-2-yl) benzoate;(1,3-dioxoisoindol-2-yl) 3,5-bis(trifluoromethyl)benzoate;(1,3-dioxoisoindol-2-yl) cyclohexanecarboxylate;(1,3-dioxoisoindol-2-yl) 2,2-diphenylacetate;(1,3-dioxoisoindol-2-yl) 2-methoxybenzoate;(1,3-dioxoisoindol-2-yl) 2-methylbenzoate;(1,3-dioxoisoindol-2-yl) morpholine-4-carboxylate;(1,3-dioxoisoindol-2-yl) phenyl carbonate?
The IUPAC name of (1,3-dioxoisoindol-2-yl) benzoate;(1,3-dioxoisoindol-2-yl) 3,5-bis(trifluoromethyl)benzoate;(1,3-dioxoisoindol-2-yl) cyclohexanecarboxylate;(1,3-dioxoisoindol-2-yl) 2,2-diphenylacetate;(1,3-dioxoisoindol-2-yl) 2-methoxybenzoate;(1,3-dioxoisoindol-2-yl) 2-methylbenzoate;(1,3-dioxoisoindol-2-yl) morpholine-4-carboxylate;(1,3-dioxoisoindol-2-yl) phenyl carbonate (CID 161477796) is (1,3-dioxoisoindol-2-yl) benzoate;(1,3-dioxoisoindol-2-yl) 3,5-bis(trifluoromethyl)benzoate;(1,3-dioxoisoindol-2-yl) cyclohexanecarboxylate;(1,3-dioxoisoindol-2-yl) 2,2-diphenylacetate;(1,3-dioxoisoindol-2-yl) 2-methoxybenzoate;(1,3-dioxoisoindol-2-yl) 2-methylbenzoate;(1,3-dioxoisoindol-2-yl) morpholine-4-carboxylate;(1,3-dioxoisoindol-2-yl) phenyl carbonate.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl) benzoate;(1,3-dioxoisoindol-2-yl) 3,5-bis(trifluoromethyl)benzoate;(1,3-dioxoisoindol-2-yl) cyclohexanecarboxylate;(1,3-dioxoisoindol-2-yl) 2,2-diphenylacetate;(1,3-dioxoisoindol-2-yl) 2-methoxybenzoate;(1,3-dioxoisoindol-2-yl) 2-methylbenzoate;(1,3-dioxoisoindol-2-yl) morpholine-4-carboxylate;(1,3-dioxoisoindol-2-yl) phenyl carbonate?
The canonical SMILES for (1,3-dioxoisoindol-2-yl) benzoate;(1,3-dioxoisoindol-2-yl) 3,5-bis(trifluoromethyl)benzoate;(1,3-dioxoisoindol-2-yl) cyclohexanecarboxylate;(1,3-dioxoisoindol-2-yl) 2,2-diphenylacetate;(1,3-dioxoisoindol-2-yl) 2-methoxybenzoate;(1,3-dioxoisoindol-2-yl) 2-methylbenzoate;(1,3-dioxoisoindol-2-yl) morpholine-4-carboxylate;(1,3-dioxoisoindol-2-yl) phenyl carbonate is COc1ccccc1C(=O)ON1C(=O)c2ccccc2C1=O.Cc1ccccc1C(=O)ON1C(=O)c2ccccc2C1=O.O=C(ON1C(=O)c2ccccc2C1=O)C(c1ccccc1)c1ccccc1.O=C(ON1C(=O)c2ccccc2C1=O)C1CCCCC1.O=C(ON1C(=O)c2ccccc2C1=O)N1CCOCC1.O=C(ON1C(=O)c2ccccc2C1=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.O=C(ON1C(=O)c2ccccc2C1=O)c1ccccc1.O=C(Oc1ccccc1)ON1C(=O)c2ccccc2C1=O.
What is the InChIKey of (1,3-dioxoisoindol-2-yl) benzoate;(1,3-dioxoisoindol-2-yl) 3,5-bis(trifluoromethyl)benzoate;(1,3-dioxoisoindol-2-yl) cyclohexanecarboxylate;(1,3-dioxoisoindol-2-yl) 2,2-diphenylacetate;(1,3-dioxoisoindol-2-yl) 2-methoxybenzoate;(1,3-dioxoisoindol-2-yl) 2-methylbenzoate;(1,3-dioxoisoindol-2-yl) morpholine-4-carboxylate;(1,3-dioxoisoindol-2-yl) phenyl carbonate?
The InChIKey is WDYHKVPNVIPEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO4.C17H7F6NO4.C16H11NO5.C16H11NO4.C15H9NO5.C15H15NO4.C15H9NO4.C13H12N2O5/c24-20-17-13-7-8-14-18(17)21(25)23(20)27-22(26)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16;18-16(19,20)9-5-8(6-10(7-9)17(21,22)23)15(27)28-24-13(25)11-3-1-2-4-12(11)14(24)26;1-21-13-9-5-4-8-12(13)16(20)22-17-14(18)10-6-2-3-7-11(10)15(17)19;1-10-6-2-3-7-11(10)16(20)21-17-14(18)12-8-4-5-9-13(12)15(17)19;17-13-11-8-4-5-9-12(11)14(18)16(13)21-15(19)20-10-6-2-1-3-7-10;2*17-13-11-8-4-5-9-12(11)14(18)16(13)20-15(19)10-6-2-1-3-7-10;16-11-9-3-1-2-4-10(9)12(17)15(11)20-13(18)14-5-7-19-8-6-14/h1-14,19H;1-7H;2-9H,1H3;2-9H,1H3;1-9H;4-5,8-10H,1-3,6-7H2;1-9H;1-4H,5-8H2.
What are the key properties of (1,3-dioxoisoindol-2-yl) benzoate;(1,3-dioxoisoindol-2-yl) 3,5-bis(trifluoromethyl)benzoate;(1,3-dioxoisoindol-2-yl) cyclohexanecarboxylate;(1,3-dioxoisoindol-2-yl) 2,2-diphenylacetate;(1,3-dioxoisoindol-2-yl) 2-methoxybenzoate;(1,3-dioxoisoindol-2-yl) 2-methylbenzoate;(1,3-dioxoisoindol-2-yl) morpholine-4-carboxylate;(1,3-dioxoisoindol-2-yl) phenyl carbonate?
(1,3-dioxoisoindol-2-yl) benzoate;(1,3-dioxoisoindol-2-yl) 3,5-bis(trifluoromethyl)benzoate;(1,3-dioxoisoindol-2-yl) cyclohexanecarboxylate;(1,3-dioxoisoindol-2-yl) 2,2-diphenylacetate;(1,3-dioxoisoindol-2-yl) 2-methoxybenzoate;(1,3-dioxoisoindol-2-yl) 2-methylbenzoate;(1,3-dioxoisoindol-2-yl) morpholine-4-carboxylate;(1,3-dioxoisoindol-2-yl) phenyl carbonate has a molecular weight of 2439.15 g/mol, XLogP of 19.55, 18 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxoisoindol-2-yl) benzoate;(1,3-dioxoisoindol-2-yl) 3,5-bis(trifluoromethyl)benzoate;(1,3-dioxoisoindol-2-yl) cyclohexanecarboxylate;(1,3-dioxoisoindol-2-yl) 2,2-diphenylacetate;(1,3-dioxoisoindol-2-yl) 2-methoxybenzoate;(1,3-dioxoisoindol-2-yl) 2-methylbenzoate;(1,3-dioxoisoindol-2-yl) morpholine-4-carboxylate;(1,3-dioxoisoindol-2-yl) phenyl carbonate is sourced from PubChem (CID 161477796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).