ethyl 4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrole-1-carboxylate

C19H17F2NO2 — CID 10404295

IUPACethyl 4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrole-1-carboxylate
SMILESCCOC(=O)N1CC(c2cc(F)ccc2F)=CC1c1ccccc1
InChIInChI=1S/C19H17F2NO2/c1-2-24-19(23)22-12-14(16-11-15(20)8-9-17(16)21)10-18(22)13-6-4-3-5-7-13/h3-11,18H,2,12H2,1H3
InChIKeyGNVRMWXUEUJNHJ-UHFFFAOYSA-N
MW329.35 g/mol
LogP4.56
Rot. Bonds3

About ethyl 4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrole-1-carboxylate

ethyl 4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrole-1-carboxylate (PubChem CID 10404295) has the molecular formula C19H17F2NO2 and a molecular weight of 329.35 g/mol. Its IUPAC name is ethyl 4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrole-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrole-1-carboxylate
PubChem CID10404295
Molecular FormulaC19H17F2NO2
Molecular Weight329.35 g/mol
Exact Mass329.12
IUPAC Nameethyl 4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrole-1-carboxylate
SMILESCCOC(=O)N1CC(c2cc(F)ccc2F)=CC1c1ccccc1
InChIInChI=1S/C19H17F2NO2/c1-2-24-19(23)22-12-14(16-11-15(20)8-9-17(16)21)10-18(22)13-6-4-3-5-7-13/h3-11,18H,2,12H2,1H3
InChIKeyGNVRMWXUEUJNHJ-UHFFFAOYSA-N
XLogP4.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrole-1-carboxylate?
The IUPAC name of ethyl 4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrole-1-carboxylate (CID 10404295) is ethyl 4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrole-1-carboxylate.
What is the SMILES notation for ethyl 4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrole-1-carboxylate?
The canonical SMILES for ethyl 4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrole-1-carboxylate is CCOC(=O)N1CC(c2cc(F)ccc2F)=CC1c1ccccc1.
What is the InChIKey of ethyl 4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrole-1-carboxylate?
The InChIKey is GNVRMWXUEUJNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NO2/c1-2-24-19(23)22-12-14(16-11-15(20)8-9-17(16)21)10-18(22)13-6-4-3-5-7-13/h3-11,18H,2,12H2,1H3.
What are the key properties of ethyl 4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrole-1-carboxylate?
ethyl 4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrole-1-carboxylate has a molecular weight of 329.35 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrole-1-carboxylate is sourced from PubChem (CID 10404295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).