N-benzyl-2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-methylacetamide

C20H19FN2O — CID 53147955

IUPACN-benzyl-2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)Cc1cccn1-c1ccc(F)cc1
InChIInChI=1S/C20H19FN2O/c1-22(15-16-6-3-2-4-7-16)20(24)14-19-8-5-13-23(19)18-11-9-17(21)10-12-18/h2-13H,14-15H2,1H3
InChIKeyRFDVRJXTGQDBBG-UHFFFAOYSA-N
MW322.38 g/mol
LogP3.82
Rot. Bonds5

About N-benzyl-2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-methylacetamide

N-benzyl-2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-methylacetamide (PubChem CID 53147955) has the molecular formula C20H19FN2O and a molecular weight of 322.38 g/mol. Its IUPAC name is N-benzyl-2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-methylacetamide
PubChem CID53147955
Molecular FormulaC20H19FN2O
Molecular Weight322.38 g/mol
Exact Mass322.15
IUPAC NameN-benzyl-2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)Cc1cccn1-c1ccc(F)cc1
InChIInChI=1S/C20H19FN2O/c1-22(15-16-6-3-2-4-7-16)20(24)14-19-8-5-13-23(19)18-11-9-17(21)10-12-18/h2-13H,14-15H2,1H3
InChIKeyRFDVRJXTGQDBBG-UHFFFAOYSA-N
XLogP3.82
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-methylacetamide (CID 53147955) is N-benzyl-2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-methylacetamide is CN(Cc1ccccc1)C(=O)Cc1cccn1-c1ccc(F)cc1.
What is the InChIKey of N-benzyl-2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-methylacetamide?
The InChIKey is RFDVRJXTGQDBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O/c1-22(15-16-6-3-2-4-7-16)20(24)14-19-8-5-13-23(19)18-11-9-17(21)10-12-18/h2-13H,14-15H2,1H3.
What are the key properties of N-benzyl-2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-methylacetamide?
N-benzyl-2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-methylacetamide has a molecular weight of 322.38 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-methylacetamide is sourced from PubChem (CID 53147955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).