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

C29H25FN2O4 — CID 118384359

IUPACtert-butyl 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoate
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(-c1cccc(C(=O)OC(C)(C)C)c1)c1[nH]ccc12
InChIInChI=1S/C29H25FN2O4/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/h5-15,32H,1-4H3,(H,31,33)
InChIKeyMRITYZGCCUIOLN-UHFFFAOYSA-N
MW484.53 g/mol
LogP6.70
Rot. Bonds4

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

tert-butyl 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoate (PubChem CID 118384359) has the molecular formula C29H25FN2O4 and a molecular weight of 484.53 g/mol. Its IUPAC name is tert-butyl 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoate.

Molecular Properties

Compound Nametert-butyl 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoate
PubChem CID118384359
Molecular FormulaC29H25FN2O4
Molecular Weight484.53 g/mol
Exact Mass484.18
IUPAC Nametert-butyl 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoate
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(-c1cccc(C(=O)OC(C)(C)C)c1)c1[nH]ccc12
InChIInChI=1S/C29H25FN2O4/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/h5-15,32H,1-4H3,(H,31,33)
InChIKeyMRITYZGCCUIOLN-UHFFFAOYSA-N
XLogP6.70
TPSA84.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.53
LogP ≤ 56.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoate 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

5-[3-(2,2-difluoropropylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-6H-furo[2,3-e]indole-3-carboxamide
CID 144928413
tert-butyl 3-[2-(4-fluorophenyl)-6-(3-methoxy-3-oxopropyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoate;3-[2-(4-fluorophenyl)-6-(3-methoxy-3-oxopropyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid
CID 158378078
tert-butyl 3-[6-ethoxy-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoate;6-ethoxy-2-(4-fluorophenyl)-N,5-dimethyl-1-benzofuran-3-carboxamide;[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]boronic acid
CID 160925804
5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6,9-dihydrofuro[2,3-f]quinoline-3-carboxamide
CID 135267893
5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-7-[(3E)-hexa-1,3,5-trien-3-yl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide
CID 144928435
5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-7,8-dihydro-6H-furo[2,3-e]indole-3-carboxamide
CID 135267584
methyl 2-[[3-[2-(4-fluorocyclohexen-1-yl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoyl]amino]-2-methylpropanoate
CID 135267621
5-[3-[4-(4-chlorophenyl)-4-methylpentanoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide;5-[3-[4-(4-chlorophenyl)-4-methylpentanoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;5-[3-[[2-(4-chlorophenyl)-2-methylpropyl]-ethylcarbamoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide;methane
CID 158834437
methyl 3-[2-(4-fluorophenyl)-6-(3-fluoropropylamino)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoate
CID 122503575
5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N,8-dimethyl-6-methylsulfonylfuro[2,3-e]indole-3-carboxamide
CID 118398795
5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6-methylsulfanylfuro[2,3-e]indole-3-carboxamide;ethane;2-(4-fluorophenyl)-N-methyl-6-methylsulfanyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide
CID 144928419
methyl 2-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-5-[3-(prop-1-en-2-ylcarbamoyl)phenyl]-1-benzofuran-6-yl]acetate
CID 129091057

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoate?
The IUPAC name of tert-butyl 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoate (CID 118384359) is tert-butyl 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoate.
What is the SMILES notation for tert-butyl 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoate?
The canonical SMILES for tert-butyl 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoate is CNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(-c1cccc(C(=O)OC(C)(C)C)c1)c1[nH]ccc12.
What is the InChIKey of tert-butyl 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoate?
The InChIKey is MRITYZGCCUIOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN2O4/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/h5-15,32H,1-4H3,(H,31,33).
What are the key properties of tert-butyl 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoate?
tert-butyl 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoate has a molecular weight of 484.53 g/mol, XLogP of 6.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoate is sourced from PubChem (CID 118384359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).