N-(3-fluorophenyl)-2-[3-(1-hydroxybutyl)pyrrol-1-yl]acetamide

C16H19FN2O2 — CID 79107758

IUPACN-(3-fluorophenyl)-2-[3-(1-hydroxybutyl)pyrrol-1-yl]acetamide
SMILESCCCC(O)c1ccn(CC(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C16H19FN2O2/c1-2-4-15(20)12-7-8-19(10-12)11-16(21)18-14-6-3-5-13(17)9-14/h3,5-10,15,20H,2,4,11H2,1H3,(H,18,21)
InChIKeyDKRWMTOHORLYDG-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.10
Rot. Bonds6

About N-(3-fluorophenyl)-2-[3-(1-hydroxybutyl)pyrrol-1-yl]acetamide

N-(3-fluorophenyl)-2-[3-(1-hydroxybutyl)pyrrol-1-yl]acetamide (PubChem CID 79107758) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[3-(1-hydroxybutyl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[3-(1-hydroxybutyl)pyrrol-1-yl]acetamide
PubChem CID79107758
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC NameN-(3-fluorophenyl)-2-[3-(1-hydroxybutyl)pyrrol-1-yl]acetamide
SMILESCCCC(O)c1ccn(CC(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C16H19FN2O2/c1-2-4-15(20)12-7-8-19(10-12)11-16(21)18-14-6-3-5-13(17)9-14/h3,5-10,15,20H,2,4,11H2,1H3,(H,18,21)
InChIKeyDKRWMTOHORLYDG-UHFFFAOYSA-N
XLogP3.10
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide
CID 79099131
2-[3-(1-aminobutyl)pyrrol-1-yl]-N-(3-chlorophenyl)acetamide
CID 79108893
2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-(3-fluorophenyl)acetamide
CID 26579576
N-(3-fluorophenyl)-2-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
CID 33350694
1-(3-fluorophenyl)-3-(2-hydroxypentyl)urea
CID 111119363
2-[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]-N-(3-methylphenyl)acetamide
CID 79099731
N-(3-methylphenyl)-2-[3-(2-methylpropanoyl)pyrrol-1-yl]acetamide
CID 79108596
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-fluorophenyl)acetamide
CID 24564807
(2S)-4-(3-fluoroanilino)-4-oxo-2-(propylamino)butanoic acid
CID 7592478
1-[2-(3-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502590
2-(2-ethylhexylamino)-N-(3-fluorophenyl)acetamide
CID 103601437
N-(3-chlorophenyl)-2-[3-(2-methylpropanoyl)pyrrol-1-yl]acetamide
CID 79108257

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[3-(1-hydroxybutyl)pyrrol-1-yl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[3-(1-hydroxybutyl)pyrrol-1-yl]acetamide (CID 79107758) is N-(3-fluorophenyl)-2-[3-(1-hydroxybutyl)pyrrol-1-yl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[3-(1-hydroxybutyl)pyrrol-1-yl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[3-(1-hydroxybutyl)pyrrol-1-yl]acetamide is CCCC(O)c1ccn(CC(=O)Nc2cccc(F)c2)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-[3-(1-hydroxybutyl)pyrrol-1-yl]acetamide?
The InChIKey is DKRWMTOHORLYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-2-4-15(20)12-7-8-19(10-12)11-16(21)18-14-6-3-5-13(17)9-14/h3,5-10,15,20H,2,4,11H2,1H3,(H,18,21).
What are the key properties of N-(3-fluorophenyl)-2-[3-(1-hydroxybutyl)pyrrol-1-yl]acetamide?
N-(3-fluorophenyl)-2-[3-(1-hydroxybutyl)pyrrol-1-yl]acetamide has a molecular weight of 290.34 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[3-(1-hydroxybutyl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 79107758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).