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

C16H19BrN2O2 — CID 79109826

IUPACN-(2-bromophenyl)-2-[3-(1-hydroxybutyl)pyrrol-1-yl]acetamide
SMILESCCCC(O)c1ccn(CC(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C16H19BrN2O2/c1-2-5-15(20)12-8-9-19(10-12)11-16(21)18-14-7-4-3-6-13(14)17/h3-4,6-10,15,20H,2,5,11H2,1H3,(H,18,21)
InChIKeyWFJRZPQRVNTKDE-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.72
Rot. Bonds6

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

N-(2-bromophenyl)-2-[3-(1-hydroxybutyl)pyrrol-1-yl]acetamide (PubChem CID 79109826) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[3-(1-hydroxybutyl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[3-(1-hydroxybutyl)pyrrol-1-yl]acetamide
PubChem CID79109826
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC NameN-(2-bromophenyl)-2-[3-(1-hydroxybutyl)pyrrol-1-yl]acetamide
SMILESCCCC(O)c1ccn(CC(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C16H19BrN2O2/c1-2-5-15(20)12-8-9-19(10-12)11-16(21)18-14-7-4-3-6-13(14)17/h3-4,6-10,15,20H,2,5,11H2,1H3,(H,18,21)
InChIKeyWFJRZPQRVNTKDE-UHFFFAOYSA-N
XLogP3.72
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide
CID 79098643
N-(2-bromophenyl)-2-[3-(hydroxymethyl)pyrrol-1-yl]acetamide
CID 66397839
N-(cyanomethyl)-2-[3-(1-hydroxybutyl)pyrrol-1-yl]acetamide
CID 79108060
2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide
CID 79109003
2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide
CID 79098210
N-(2-bromophenyl)butanamide
CID 732405
N-(2-chlorophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide
CID 79098536
2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-(2-fluorophenyl)acetamide
CID 79099095
N-(2-bromophenyl)-2-propylpentanamide
CID 115532233
N-(2-bromophenyl)-2-(2-oxo-3-propylimidazol-1-yl)acetamide
CID 116624759
N'-(2-bromophenyl)-N-(2-hydroxypentyl)oxamide
CID 111121394
1-[1-(2,2-difluoro-2-phenylethyl)pyrrol-3-yl]butan-1-ol
CID 116790132

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[3-(1-hydroxybutyl)pyrrol-1-yl]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[3-(1-hydroxybutyl)pyrrol-1-yl]acetamide (CID 79109826) is N-(2-bromophenyl)-2-[3-(1-hydroxybutyl)pyrrol-1-yl]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[3-(1-hydroxybutyl)pyrrol-1-yl]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[3-(1-hydroxybutyl)pyrrol-1-yl]acetamide is CCCC(O)c1ccn(CC(=O)Nc2ccccc2Br)c1.
What is the InChIKey of N-(2-bromophenyl)-2-[3-(1-hydroxybutyl)pyrrol-1-yl]acetamide?
The InChIKey is WFJRZPQRVNTKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-2-5-15(20)12-8-9-19(10-12)11-16(21)18-14-7-4-3-6-13(14)17/h3-4,6-10,15,20H,2,5,11H2,1H3,(H,18,21).
What are the key properties of N-(2-bromophenyl)-2-[3-(1-hydroxybutyl)pyrrol-1-yl]acetamide?
N-(2-bromophenyl)-2-[3-(1-hydroxybutyl)pyrrol-1-yl]acetamide has a molecular weight of 351.24 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[3-(1-hydroxybutyl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 79109826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).