1-(4-fluorophenyl)-N-[2-(methoxymethyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide

C21H21FN2O2 — CID 55715024

IUPAC1-(4-fluorophenyl)-N-[2-(methoxymethyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCOCc1ccccc1NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C
InChIInChI=1S/C21H21FN2O2/c1-14-12-19(15(2)24(14)18-10-8-17(22)9-11-18)21(25)23-20-7-5-4-6-16(20)13-26-3/h4-12H,13H2,1-3H3,(H,23,25)
InChIKeyBZNBRNPGLZPBAI-UHFFFAOYSA-N
MW352.41 g/mol
LogP4.63
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[2-(methoxymethyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide

1-(4-fluorophenyl)-N-[2-(methoxymethyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 55715024) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-(methoxymethyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-(methoxymethyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide
PubChem CID55715024
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC Name1-(4-fluorophenyl)-N-[2-(methoxymethyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCOCc1ccccc1NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C
InChIInChI=1S/C21H21FN2O2/c1-14-12-19(15(2)24(14)18-10-8-17(22)9-11-18)21(25)23-20-7-5-4-6-16(20)13-26-3/h4-12H,13H2,1-3H3,(H,23,25)
InChIKeyBZNBRNPGLZPBAI-UHFFFAOYSA-N
XLogP4.63
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[2-(methoxymethyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-(methoxymethyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide (CID 55715024) is 1-(4-fluorophenyl)-N-[2-(methoxymethyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-(methoxymethyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-(methoxymethyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide is COCc1ccccc1NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-(methoxymethyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is BZNBRNPGLZPBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2/c1-14-12-19(15(2)24(14)18-10-8-17(22)9-11-18)21(25)23-20-7-5-4-6-16(20)13-26-3/h4-12H,13H2,1-3H3,(H,23,25).
What are the key properties of 1-(4-fluorophenyl)-N-[2-(methoxymethyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide?
1-(4-fluorophenyl)-N-[2-(methoxymethyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 352.41 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[2-(methoxymethyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 55715024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).