2-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide

C15H17FN2O — CID 134794412

IUPAC2-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCN(Cc1cccn1C)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H17FN2O/c1-17-9-3-4-14(17)11-18(2)15(19)10-12-5-7-13(16)8-6-12/h3-9H,10-11H2,1-2H3
InChIKeyYGWLMRWZHKCIOL-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.37
Rot. Bonds4

About 2-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide

2-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 134794412) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
PubChem CID134794412
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name2-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCN(Cc1cccn1C)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H17FN2O/c1-17-9-3-4-14(17)11-18(2)15(19)10-12-5-7-13(16)8-6-12/h3-9H,10-11H2,1-2H3
InChIKeyYGWLMRWZHKCIOL-UHFFFAOYSA-N
XLogP2.37
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 134794412) is 2-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide is CN(Cc1cccn1C)C(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The InChIKey is YGWLMRWZHKCIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-17-9-3-4-14(17)11-18(2)15(19)10-12-5-7-13(16)8-6-12/h3-9H,10-11H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
2-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 260.31 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 134794412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).