ethyl 3-[5-(4-fluorophenyl)-1H-pyrrol-2-yl]-5-phenyl-1H-pyrrole-2-carboxylate

C23H19FN2O2 — CID 164666178

IUPACethyl 3-[5-(4-fluorophenyl)-1H-pyrrol-2-yl]-5-phenyl-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]c(-c2ccccc2)cc1-c1ccc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C23H19FN2O2/c1-2-28-23(27)22-18(14-21(26-22)15-6-4-3-5-7-15)20-13-12-19(25-20)16-8-10-17(24)11-9-16/h3-14,25-26H,2H2,1H3
InChIKeyBKWBUIVQBOAHOR-UHFFFAOYSA-N
MW374.42 g/mol
LogP5.66
Rot. Bonds5

About ethyl 3-[5-(4-fluorophenyl)-1H-pyrrol-2-yl]-5-phenyl-1H-pyrrole-2-carboxylate

ethyl 3-[5-(4-fluorophenyl)-1H-pyrrol-2-yl]-5-phenyl-1H-pyrrole-2-carboxylate (PubChem CID 164666178) has the molecular formula C23H19FN2O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is ethyl 3-[5-(4-fluorophenyl)-1H-pyrrol-2-yl]-5-phenyl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[5-(4-fluorophenyl)-1H-pyrrol-2-yl]-5-phenyl-1H-pyrrole-2-carboxylate
PubChem CID164666178
Molecular FormulaC23H19FN2O2
Molecular Weight374.42 g/mol
Exact Mass374.14
IUPAC Nameethyl 3-[5-(4-fluorophenyl)-1H-pyrrol-2-yl]-5-phenyl-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]c(-c2ccccc2)cc1-c1ccc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C23H19FN2O2/c1-2-28-23(27)22-18(14-21(26-22)15-6-4-3-5-7-15)20-13-12-19(25-20)16-8-10-17(24)11-9-16/h3-14,25-26H,2H2,1H3
InChIKeyBKWBUIVQBOAHOR-UHFFFAOYSA-N
XLogP5.66
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.42
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 5-(4-iodophenyl)-3-phenyl-1H-pyrrole-2-carboxylate
CID 102235864
ethyl 5-(2-fluorophenyl)-3-phenyl-1H-pyrrole-2-carboxylate
CID 141297667
ethyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66490237
ethyl 3-(4-cyanophenyl)-5-(4-methylphenyl)-1H-pyrrole-2-carboxylate
CID 126601198
ethyl 6-(4-fluorophenyl)-2-hydroxy-3,4-diphenylbenzoate
CID 132550879
ethyl 5-(4-fluorophenyl)-4-phenylthiophene-2-carboxylate
CID 131954949
ethyl 2-(4-fluorophenyl)benzoate
CID 43840259
ethyl 2-cyclopropyl-5-phenyl-1H-pyrrole-3-carboxylate
CID 102028571
ethyl 3-(3-chloropropylcarbamoylamino)-5-phenyl-1H-pyrrole-2-carboxylate
CID 11348658
bis(3,5-diphenyl-1H-pyrrol-2-yl)methanone
CID 153465332
ethyl 3-phenyl-1H-pyrrole-2-carboxylate
CID 11790592
ethyl 3,4-bis(4-fluorophenyl)-1H-pyrrole-2-carboxylate
CID 14498216

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[5-(4-fluorophenyl)-1H-pyrrol-2-yl]-5-phenyl-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 3-[5-(4-fluorophenyl)-1H-pyrrol-2-yl]-5-phenyl-1H-pyrrole-2-carboxylate (CID 164666178) is ethyl 3-[5-(4-fluorophenyl)-1H-pyrrol-2-yl]-5-phenyl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 3-[5-(4-fluorophenyl)-1H-pyrrol-2-yl]-5-phenyl-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 3-[5-(4-fluorophenyl)-1H-pyrrol-2-yl]-5-phenyl-1H-pyrrole-2-carboxylate is CCOC(=O)c1[nH]c(-c2ccccc2)cc1-c1ccc(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of ethyl 3-[5-(4-fluorophenyl)-1H-pyrrol-2-yl]-5-phenyl-1H-pyrrole-2-carboxylate?
The InChIKey is BKWBUIVQBOAHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O2/c1-2-28-23(27)22-18(14-21(26-22)15-6-4-3-5-7-15)20-13-12-19(25-20)16-8-10-17(24)11-9-16/h3-14,25-26H,2H2,1H3.
What are the key properties of ethyl 3-[5-(4-fluorophenyl)-1H-pyrrol-2-yl]-5-phenyl-1H-pyrrole-2-carboxylate?
ethyl 3-[5-(4-fluorophenyl)-1H-pyrrol-2-yl]-5-phenyl-1H-pyrrole-2-carboxylate has a molecular weight of 374.42 g/mol, XLogP of 5.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[5-(4-fluorophenyl)-1H-pyrrol-2-yl]-5-phenyl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 164666178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).