ethyl 4-[(3-fluoro-4-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate

C18H21FN2O3 — CID 5060990

IUPACethyl 4-[(3-fluoro-4-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate
SMILESCCOC(=O)c1c(C)c(C(=O)Nc2ccc(C)c(F)c2)c(C)n1C
InChIInChI=1S/C18H21FN2O3/c1-6-24-18(23)16-11(3)15(12(4)21(16)5)17(22)20-13-8-7-10(2)14(19)9-13/h7-9H,6H2,1-5H3,(H,20,22)
InChIKeyNRSIEIMUNYLEAA-UHFFFAOYSA-N
MW332.38 g/mol
LogP3.52
Rot. Bonds4

About ethyl 4-[(3-fluoro-4-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate

ethyl 4-[(3-fluoro-4-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate (PubChem CID 5060990) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is ethyl 4-[(3-fluoro-4-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-fluoro-4-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate
PubChem CID5060990
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Nameethyl 4-[(3-fluoro-4-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate
SMILESCCOC(=O)c1c(C)c(C(=O)Nc2ccc(C)c(F)c2)c(C)n1C
InChIInChI=1S/C18H21FN2O3/c1-6-24-18(23)16-11(3)15(12(4)21(16)5)17(22)20-13-8-7-10(2)14(19)9-13/h7-9H,6H2,1-5H3,(H,20,22)
InChIKeyNRSIEIMUNYLEAA-UHFFFAOYSA-N
XLogP3.52
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[(3-fluoro-4-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-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

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-fluoro-4-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate?
The IUPAC name of ethyl 4-[(3-fluoro-4-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate (CID 5060990) is ethyl 4-[(3-fluoro-4-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-[(3-fluoro-4-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-[(3-fluoro-4-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate is CCOC(=O)c1c(C)c(C(=O)Nc2ccc(C)c(F)c2)c(C)n1C.
What is the InChIKey of ethyl 4-[(3-fluoro-4-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate?
The InChIKey is NRSIEIMUNYLEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-6-24-18(23)16-11(3)15(12(4)21(16)5)17(22)20-13-8-7-10(2)14(19)9-13/h7-9H,6H2,1-5H3,(H,20,22).
What are the key properties of ethyl 4-[(3-fluoro-4-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate?
ethyl 4-[(3-fluoro-4-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate has a molecular weight of 332.38 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-fluoro-4-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate is sourced from PubChem (CID 5060990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).