ethyl 7-fluoro-4-(4-fluorophenyl)-1,3-dihydropyrrolo[3,4-b]indole-2-carboxylate

C19H16F2N2O2 — CID 12649781

IUPACethyl 7-fluoro-4-(4-fluorophenyl)-1,3-dihydropyrrolo[3,4-b]indole-2-carboxylate
SMILESCCOC(=O)N1Cc2c(n(-c3ccc(F)cc3)c3ccc(F)cc23)C1
InChIInChI=1S/C19H16F2N2O2/c1-2-25-19(24)22-10-16-15-9-13(21)5-8-17(15)23(18(16)11-22)14-6-3-12(20)4-7-14/h3-9H,2,10-11H2,1H3
InChIKeyJZKXHUGBKHTPCL-UHFFFAOYSA-N
MW342.35 g/mol
LogP4.38
Rot. Bonds2

About ethyl 7-fluoro-4-(4-fluorophenyl)-1,3-dihydropyrrolo[3,4-b]indole-2-carboxylate

ethyl 7-fluoro-4-(4-fluorophenyl)-1,3-dihydropyrrolo[3,4-b]indole-2-carboxylate (PubChem CID 12649781) has the molecular formula C19H16F2N2O2 and a molecular weight of 342.35 g/mol. Its IUPAC name is ethyl 7-fluoro-4-(4-fluorophenyl)-1,3-dihydropyrrolo[3,4-b]indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-fluoro-4-(4-fluorophenyl)-1,3-dihydropyrrolo[3,4-b]indole-2-carboxylate
PubChem CID12649781
Molecular FormulaC19H16F2N2O2
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Nameethyl 7-fluoro-4-(4-fluorophenyl)-1,3-dihydropyrrolo[3,4-b]indole-2-carboxylate
SMILESCCOC(=O)N1Cc2c(n(-c3ccc(F)cc3)c3ccc(F)cc23)C1
InChIInChI=1S/C19H16F2N2O2/c1-2-25-19(24)22-10-16-15-9-13(21)5-8-17(15)23(18(16)11-22)14-6-3-12(20)4-7-14/h3-9H,2,10-11H2,1H3
InChIKeyJZKXHUGBKHTPCL-UHFFFAOYSA-N
XLogP4.38
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 7-fluoro-4-(4-fluorophenyl)-1,3-dihydropyrrolo[3,4-b]indole-2-carboxylate 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

Pyrrolidine, 1-((2-phenyl-1H-indol-1-yl)acetyl)-
CID 381975
1-(2-{4-[1-(4-Fluoro-phenyl)-2-methyl-1H-indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl}-ethyl)-imidazolidin-2-one
CID 10409784
1-(3-(3,6-difluoro-9H-carbazol-9-yl)-2-hydroxypropyl)-3-methylpyrrolidin-2-one
CID 118415356
1-(3-(3,6-difluoro-9H-carbazol-9-yl)-2-hydroxypropyl)-3-fluoropyrrolidin-2-one
CID 118415365
1-(3-(3,6-difluoro-9H-carbazol-9-yl)-2-hydroxypropyl)-5-methylpyrrolidin-2-one
CID 118415370
1-(3-(3,6-difluoro-9H-carbazol-9-yl)-2-hydroxypropyl)-3-phenylimidazolidin-2-one
CID 118415389
1-(3-(3,6-difluoro-9H-carbazol-9-yl)-2-hydroxypropyl)-3-ethylpyrrolidin-2-one
CID 118415428
1-(3-(3,6-difluoro-9H-carbazol-9-yl)-2-hydroxypropyl)-3-isopropylpyrrolidin-2-one
CID 118415451
1-(3-(3,6-difluoro-9H-carbazol-9-yl)-2-hydroxypropyl)-3-isopropylimid-azolidin-2-one
CID 118415481
1-(3-(3,6-difluoro-9H-carbazol-9-yl)-2-hydroxypropyl) pyrrolidin-2-one
CID 118415662
1-(3-(3,6-difluoro-9H-carbazol-9-yl)-2-hydroxypropyl)-3,3-dimethylpyrrolidin-2-one
CID 118415770
N-[2-(6H-Isoindolo[2,1-a]indol-11-yl)-ethyl]-acetamide
CID 10517621

Frequently Asked Questions

What is the IUPAC name of ethyl 7-fluoro-4-(4-fluorophenyl)-1,3-dihydropyrrolo[3,4-b]indole-2-carboxylate?
The IUPAC name of ethyl 7-fluoro-4-(4-fluorophenyl)-1,3-dihydropyrrolo[3,4-b]indole-2-carboxylate (CID 12649781) is ethyl 7-fluoro-4-(4-fluorophenyl)-1,3-dihydropyrrolo[3,4-b]indole-2-carboxylate.
What is the SMILES notation for ethyl 7-fluoro-4-(4-fluorophenyl)-1,3-dihydropyrrolo[3,4-b]indole-2-carboxylate?
The canonical SMILES for ethyl 7-fluoro-4-(4-fluorophenyl)-1,3-dihydropyrrolo[3,4-b]indole-2-carboxylate is CCOC(=O)N1Cc2c(n(-c3ccc(F)cc3)c3ccc(F)cc23)C1.
What is the InChIKey of ethyl 7-fluoro-4-(4-fluorophenyl)-1,3-dihydropyrrolo[3,4-b]indole-2-carboxylate?
The InChIKey is JZKXHUGBKHTPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O2/c1-2-25-19(24)22-10-16-15-9-13(21)5-8-17(15)23(18(16)11-22)14-6-3-12(20)4-7-14/h3-9H,2,10-11H2,1H3.
What are the key properties of ethyl 7-fluoro-4-(4-fluorophenyl)-1,3-dihydropyrrolo[3,4-b]indole-2-carboxylate?
ethyl 7-fluoro-4-(4-fluorophenyl)-1,3-dihydropyrrolo[3,4-b]indole-2-carboxylate has a molecular weight of 342.35 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-fluoro-4-(4-fluorophenyl)-1,3-dihydropyrrolo[3,4-b]indole-2-carboxylate is sourced from PubChem (CID 12649781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).