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

C14H15FN2O2 — CID 79106101

IUPACN-(3-fluorophenyl)-2-[2-(1-hydroxyethyl)pyrrol-1-yl]acetamide
SMILESCC(O)c1cccn1CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C14H15FN2O2/c1-10(18)13-6-3-7-17(13)9-14(19)16-12-5-2-4-11(15)8-12/h2-8,10,18H,9H2,1H3,(H,16,19)
InChIKeyAQNGFHGZMZEQJI-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.32
Rot. Bonds4

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

N-(3-fluorophenyl)-2-[2-(1-hydroxyethyl)pyrrol-1-yl]acetamide (PubChem CID 79106101) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[2-(1-hydroxyethyl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[2-(1-hydroxyethyl)pyrrol-1-yl]acetamide
PubChem CID79106101
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC NameN-(3-fluorophenyl)-2-[2-(1-hydroxyethyl)pyrrol-1-yl]acetamide
SMILESCC(O)c1cccn1CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C14H15FN2O2/c1-10(18)13-6-3-7-17(13)9-14(19)16-12-5-2-4-11(15)8-12/h2-8,10,18H,9H2,1H3,(H,16,19)
InChIKeyAQNGFHGZMZEQJI-UHFFFAOYSA-N
XLogP2.32
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[2-(1-hydroxyethyl)pyrrol-1-yl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[2-(1-hydroxyethyl)pyrrol-1-yl]acetamide (CID 79106101) is N-(3-fluorophenyl)-2-[2-(1-hydroxyethyl)pyrrol-1-yl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[2-(1-hydroxyethyl)pyrrol-1-yl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[2-(1-hydroxyethyl)pyrrol-1-yl]acetamide is CC(O)c1cccn1CC(=O)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-[2-(1-hydroxyethyl)pyrrol-1-yl]acetamide?
The InChIKey is AQNGFHGZMZEQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-10(18)13-6-3-7-17(13)9-14(19)16-12-5-2-4-11(15)8-12/h2-8,10,18H,9H2,1H3,(H,16,19).
What are the key properties of N-(3-fluorophenyl)-2-[2-(1-hydroxyethyl)pyrrol-1-yl]acetamide?
N-(3-fluorophenyl)-2-[2-(1-hydroxyethyl)pyrrol-1-yl]acetamide has a molecular weight of 262.28 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[2-(1-hydroxyethyl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 79106101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).