N-(4-fluorophenyl)-2-(2,3,4-trimethylpyrrol-1-yl)acetamide

C15H17FN2O — CID 63926062

IUPACN-(4-fluorophenyl)-2-(2,3,4-trimethylpyrrol-1-yl)acetamide
SMILESCc1cn(CC(=O)Nc2ccc(F)cc2)c(C)c1C
InChIInChI=1S/C15H17FN2O/c1-10-8-18(12(3)11(10)2)9-15(19)17-14-6-4-13(16)5-7-14/h4-8H,9H2,1-3H3,(H,17,19)
InChIKeyOQDKOBHMNRNQEU-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.19
Rot. Bonds3

About N-(4-fluorophenyl)-2-(2,3,4-trimethylpyrrol-1-yl)acetamide

N-(4-fluorophenyl)-2-(2,3,4-trimethylpyrrol-1-yl)acetamide (PubChem CID 63926062) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(2,3,4-trimethylpyrrol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(2,3,4-trimethylpyrrol-1-yl)acetamide
PubChem CID63926062
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC NameN-(4-fluorophenyl)-2-(2,3,4-trimethylpyrrol-1-yl)acetamide
SMILESCc1cn(CC(=O)Nc2ccc(F)cc2)c(C)c1C
InChIInChI=1S/C15H17FN2O/c1-10-8-18(12(3)11(10)2)9-15(19)17-14-6-4-13(16)5-7-14/h4-8H,9H2,1-3H3,(H,17,19)
InChIKeyOQDKOBHMNRNQEU-UHFFFAOYSA-N
XLogP3.19
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluorophenyl)-2-[2-(hydroxymethyl)pyrrol-1-yl]acetamide
CID 66399525
2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-(4-fluorophenyl)acetamide
CID 100744381
N-(4-fluorophenyl)-2-[2-(1-hydroxyethyl)pyrrol-1-yl]acetamide
CID 79106625
N-(4-fluorophenyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide
CID 113244392
N-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 5051825
2-[2-(aminomethyl)imidazol-1-yl]-N-(4-fluorophenyl)acetamide
CID 55048330
N-(4-fluorophenyl)-2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]acetamide
CID 16852822
2-[4-(3,4-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 22520390
N-(4-fluorophenyl)-2-(propylamino)acetamide
CID 28586343
N-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2824699
N-(4-fluorophenyl)-2-[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]acetamide
CID 43647382
N-(4-fluorophenyl)-2-(prop-2-ynylamino)acetamide
CID 28563124

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(2,3,4-trimethylpyrrol-1-yl)acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(2,3,4-trimethylpyrrol-1-yl)acetamide (CID 63926062) is N-(4-fluorophenyl)-2-(2,3,4-trimethylpyrrol-1-yl)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(2,3,4-trimethylpyrrol-1-yl)acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(2,3,4-trimethylpyrrol-1-yl)acetamide is Cc1cn(CC(=O)Nc2ccc(F)cc2)c(C)c1C.
What is the InChIKey of N-(4-fluorophenyl)-2-(2,3,4-trimethylpyrrol-1-yl)acetamide?
The InChIKey is OQDKOBHMNRNQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-10-8-18(12(3)11(10)2)9-15(19)17-14-6-4-13(16)5-7-14/h4-8H,9H2,1-3H3,(H,17,19).
What are the key properties of N-(4-fluorophenyl)-2-(2,3,4-trimethylpyrrol-1-yl)acetamide?
N-(4-fluorophenyl)-2-(2,3,4-trimethylpyrrol-1-yl)acetamide has a molecular weight of 260.31 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(2,3,4-trimethylpyrrol-1-yl)acetamide is sourced from PubChem (CID 63926062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).