3-[6-acetyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-e]indol-5-yl]benzoic acid;tert-butyl 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoate;3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoic acid;methane

C82H65F3N6O13 — CID 159379225

IUPAC3-[6-acetyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-e]indol-5-yl]benzoic acid;tert-butyl 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoate;3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoic acid;methane
SMILESC.CNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(-c1cccc(C(=O)O)c1)c1[nH]ccc12.CNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(-c1cccc(C(=O)O)c1)c1c2ccn1C(C)=O.CNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(-c1cccc(C(=O)OC(C)(C)C)c1)c1[nH]ccc12
InChIInChI=1S/C29H25FN2O4.C27H19FN2O5.C25H17FN2O4.CH4/c1-29(2,3)36-28(34)18-7-5-6-17(14-18)21-15-22-23(27(33)31-4)25(16-8-10-19(30)11-9-16)35-26(22)20-12-13-32-24(20)21;1-14(31)30-11-10-19-23(30)20(16-4-3-5-17(12-16)27(33)34)13-21-22(26(32)29-2)24(35-25(19)21)15-6-8-18(28)9-7-15;1-27-24(29)20-19-12-18(14-3-2-4-15(11-14)25(30)31)21-17(9-10-28-21)23(19)32-22(20)13-5-7-16(26)8-6-13;/h5-15,32H,1-4H3,(H,31,33);3-13H,1-2H3,(H,29,32)(H,33,34);2-12,28H,1H3,(H,27,29)(H,30,31);1H4
InChIKeyLKRQYDYXKXFZNQ-UHFFFAOYSA-N
MW1399.44 g/mol
LogP18.36
Rot. Bonds12

About 3-[6-acetyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-e]indol-5-yl]benzoic acid;tert-butyl 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoate;3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoic acid;methane

3-[6-acetyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-e]indol-5-yl]benzoic acid;tert-butyl 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoate;3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoic acid;methane (PubChem CID 159379225) has the molecular formula C82H65F3N6O13 and a molecular weight of 1399.44 g/mol. Its IUPAC name is 3-[6-acetyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-e]indol-5-yl]benzoic acid;tert-butyl 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoate;3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoic acid;methane.

Molecular Properties

Compound Name3-[6-acetyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-e]indol-5-yl]benzoic acid;tert-butyl 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoate;3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoic acid;methane
PubChem CID159379225
Molecular FormulaC82H65F3N6O13
Molecular Weight1399.44 g/mol
Exact Mass1398.46
IUPAC Name3-[6-acetyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-e]indol-5-yl]benzoic acid;tert-butyl 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoate;3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoic acid;methane
SMILESC.CNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(-c1cccc(C(=O)O)c1)c1[nH]ccc12.CNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(-c1cccc(C(=O)O)c1)c1c2ccn1C(C)=O.CNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(-c1cccc(C(=O)OC(C)(C)C)c1)c1[nH]ccc12
InChIInChI=1S/C29H25FN2O4.C27H19FN2O5.C25H17FN2O4.CH4/c1-29(2,3)36-28(34)18-7-5-6-17(14-18)21-15-22-23(27(33)31-4)25(16-8-10-19(30)11-9-16)35-26(22)20-12-13-32-24(20)21;1-14(31)30-11-10-19-23(30)20(16-4-3-5-17(12-16)27(33)34)13-21-22(26(32)29-2)24(35-25(19)21)15-6-8-18(28)9-7-15;1-27-24(29)20-19-12-18(14-3-2-4-15(11-14)25(30)31)21-17(9-10-28-21)23(19)32-22(20)13-5-7-16(26)8-6-13;/h5-15,32H,1-4H3,(H,31,33);3-13H,1-2H3,(H,29,32)(H,33,34);2-12,28H,1H3,(H,27,29)(H,30,31);1H4
InChIKeyLKRQYDYXKXFZNQ-UHFFFAOYSA-N
XLogP18.36
TPSA281.20 Ų
H-Bond Donors7
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001399.44
LogP ≤ 518.36
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1012

Analyze 3-[6-acetyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-e]indol-5-yl]benzoic acid;tert-butyl 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoate;3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoic acid;methane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[6-acetyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-e]indol-5-yl]benzoic acid;tert-butyl 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoate;3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoic acid;methane?
The IUPAC name of 3-[6-acetyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-e]indol-5-yl]benzoic acid;tert-butyl 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoate;3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoic acid;methane (CID 159379225) is 3-[6-acetyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-e]indol-5-yl]benzoic acid;tert-butyl 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoate;3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoic acid;methane.
What is the SMILES notation for 3-[6-acetyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-e]indol-5-yl]benzoic acid;tert-butyl 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoate;3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoic acid;methane?
The canonical SMILES for 3-[6-acetyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-e]indol-5-yl]benzoic acid;tert-butyl 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoate;3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoic acid;methane is C.CNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(-c1cccc(C(=O)O)c1)c1[nH]ccc12.CNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(-c1cccc(C(=O)O)c1)c1c2ccn1C(C)=O.CNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(-c1cccc(C(=O)OC(C)(C)C)c1)c1[nH]ccc12.
What is the InChIKey of 3-[6-acetyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-e]indol-5-yl]benzoic acid;tert-butyl 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoate;3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoic acid;methane?
The InChIKey is LKRQYDYXKXFZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN2O4.C27H19FN2O5.C25H17FN2O4.CH4/c1-29(2,3)36-28(34)18-7-5-6-17(14-18)21-15-22-23(27(33)31-4)25(16-8-10-19(30)11-9-16)35-26(22)20-12-13-32-24(20)21;1-14(31)30-11-10-19-23(30)20(16-4-3-5-17(12-16)27(33)34)13-21-22(26(32)29-2)24(35-25(19)21)15-6-8-18(28)9-7-15;1-27-24(29)20-19-12-18(14-3-2-4-15(11-14)25(30)31)21-17(9-10-28-21)23(19)32-22(20)13-5-7-16(26)8-6-13;/h5-15,32H,1-4H3,(H,31,33);3-13H,1-2H3,(H,29,32)(H,33,34);2-12,28H,1H3,(H,27,29)(H,30,31);1H4.
What are the key properties of 3-[6-acetyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-e]indol-5-yl]benzoic acid;tert-butyl 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoate;3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoic acid;methane?
3-[6-acetyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-e]indol-5-yl]benzoic acid;tert-butyl 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoate;3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoic acid;methane has a molecular weight of 1399.44 g/mol, XLogP of 18.36, 12 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-acetyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-e]indol-5-yl]benzoic acid;tert-butyl 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoate;3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoic acid;methane is sourced from PubChem (CID 159379225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).