dimethyl 2-fluoro-5-(4-methoxyphenyl)-1-phenylpyrrole-3,4-dicarboxylate

C21H18FNO5 — CID 10524017

IUPACdimethyl 2-fluoro-5-(4-methoxyphenyl)-1-phenylpyrrole-3,4-dicarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c(-c2ccc(OC)cc2)n(-c2ccccc2)c1F
InChIInChI=1S/C21H18FNO5/c1-26-15-11-9-13(10-12-15)18-16(20(24)27-2)17(21(25)28-3)19(22)23(18)14-7-5-4-6-8-14/h4-12H,1-3H3
InChIKeyJBMOVWFRDRGJTH-UHFFFAOYSA-N
MW383.38 g/mol
LogP3.87
Rot. Bonds5

About dimethyl 2-fluoro-5-(4-methoxyphenyl)-1-phenylpyrrole-3,4-dicarboxylate

dimethyl 2-fluoro-5-(4-methoxyphenyl)-1-phenylpyrrole-3,4-dicarboxylate (PubChem CID 10524017) has the molecular formula C21H18FNO5 and a molecular weight of 383.38 g/mol. Its IUPAC name is dimethyl 2-fluoro-5-(4-methoxyphenyl)-1-phenylpyrrole-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-fluoro-5-(4-methoxyphenyl)-1-phenylpyrrole-3,4-dicarboxylate
PubChem CID10524017
Molecular FormulaC21H18FNO5
Molecular Weight383.38 g/mol
Exact Mass383.12
IUPAC Namedimethyl 2-fluoro-5-(4-methoxyphenyl)-1-phenylpyrrole-3,4-dicarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c(-c2ccc(OC)cc2)n(-c2ccccc2)c1F
InChIInChI=1S/C21H18FNO5/c1-26-15-11-9-13(10-12-15)18-16(20(24)27-2)17(21(25)28-3)19(22)23(18)14-7-5-4-6-8-14/h4-12H,1-3H3
InChIKeyJBMOVWFRDRGJTH-UHFFFAOYSA-N
XLogP3.87
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-ethenyl-2-(4-methoxyphenyl)-1-phenylpyrrole-3-carboxylate
CID 102309545
anisole;methyl 4-methoxybenzoate
CID 158093995
3-benzoyl-1-(4-methoxyphenyl)-2-phenylquinolin-4-one
CID 166439002
methyl 4-(3,5-dichloro-6-oxo-1-phenylpyrazin-2-yl)benzoate
CID 45269852
dimethyl 2-(4-chlorophenyl)-1-phenylpyrrole-3,4-dicarboxylate
CID 3850963
2-(4-chlorophenyl)-4-ethoxycarbonyl-1-(4-methoxyphenyl)-5-methylpyrrole-3-carboxylic acid
CID 23650324
2-(4-methoxyphenyl)-1-methyl-4-phenylpyrrole-3-carboxylic acid
CID 3730701
methyl 6-(4-methoxyphenyl)-2,3,4-trimethylbenzoate
CID 102035727
dimethyl 2,6-dioxo-1,3-diphenylpyrimidine-4,5-dicarboxylate
CID 134839740
methyl 5-methyl-1,4,6-triphenyl-2-phenyliminopyridine-3-carboxylate
CID 68662676
dimethyl 4-(2-methoxy-2-oxoethyl)-1-(4-methylphenyl)-5-phenylpyrrole-2,3-dicarboxylate
CID 102138310
5-hydroxy-2-(4-methoxyphenyl)-N-methyl-1-phenyl-4-(piperidin-1-ylmethyl)indole-3-carboxamide
CID 164520764

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-fluoro-5-(4-methoxyphenyl)-1-phenylpyrrole-3,4-dicarboxylate?
The IUPAC name of dimethyl 2-fluoro-5-(4-methoxyphenyl)-1-phenylpyrrole-3,4-dicarboxylate (CID 10524017) is dimethyl 2-fluoro-5-(4-methoxyphenyl)-1-phenylpyrrole-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-fluoro-5-(4-methoxyphenyl)-1-phenylpyrrole-3,4-dicarboxylate?
The canonical SMILES for dimethyl 2-fluoro-5-(4-methoxyphenyl)-1-phenylpyrrole-3,4-dicarboxylate is COC(=O)c1c(C(=O)OC)c(-c2ccc(OC)cc2)n(-c2ccccc2)c1F.
What is the InChIKey of dimethyl 2-fluoro-5-(4-methoxyphenyl)-1-phenylpyrrole-3,4-dicarboxylate?
The InChIKey is JBMOVWFRDRGJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO5/c1-26-15-11-9-13(10-12-15)18-16(20(24)27-2)17(21(25)28-3)19(22)23(18)14-7-5-4-6-8-14/h4-12H,1-3H3.
What are the key properties of dimethyl 2-fluoro-5-(4-methoxyphenyl)-1-phenylpyrrole-3,4-dicarboxylate?
dimethyl 2-fluoro-5-(4-methoxyphenyl)-1-phenylpyrrole-3,4-dicarboxylate has a molecular weight of 383.38 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-fluoro-5-(4-methoxyphenyl)-1-phenylpyrrole-3,4-dicarboxylate is sourced from PubChem (CID 10524017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).