2-(3-acetylpyrrol-1-yl)-N-(4-bromophenyl)acetamide

C14H13BrN2O2 — CID 79107153

IUPAC2-(3-acetylpyrrol-1-yl)-N-(4-bromophenyl)acetamide
SMILESCC(=O)c1ccn(CC(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C14H13BrN2O2/c1-10(18)11-6-7-17(8-11)9-14(19)16-13-4-2-12(15)3-5-13/h2-8H,9H2,1H3,(H,16,19)
InChIKeyCSNXTONKKDWSJT-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.09
Rot. Bonds4

About 2-(3-acetylpyrrol-1-yl)-N-(4-bromophenyl)acetamide

2-(3-acetylpyrrol-1-yl)-N-(4-bromophenyl)acetamide (PubChem CID 79107153) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 2-(3-acetylpyrrol-1-yl)-N-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-(3-acetylpyrrol-1-yl)-N-(4-bromophenyl)acetamide
PubChem CID79107153
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name2-(3-acetylpyrrol-1-yl)-N-(4-bromophenyl)acetamide
SMILESCC(=O)c1ccn(CC(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C14H13BrN2O2/c1-10(18)11-6-7-17(8-11)9-14(19)16-13-4-2-12(15)3-5-13/h2-8H,9H2,1H3,(H,16,19)
InChIKeyCSNXTONKKDWSJT-UHFFFAOYSA-N
XLogP3.09
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide
CID 79099508
N-(4-acetylphenyl)-2-[2-(4-bromoanilino)-2-oxoethyl]sulfanylacetamide
CID 5085970
1-[2-(4-chloroanilino)-2-oxoethyl]pyrrole-3-carboxylic acid
CID 79103879
N-(4-chlorophenyl)-2-(3-propanoylpyrrol-1-yl)acetamide
CID 79098178
2-(3-acetylpyrrol-1-yl)-N-propylacetamide
CID 79107025
2-(3-acetylpyrrol-1-yl)-N-(2-methylpropyl)acetamide
CID 79106832
N-(4-bromophenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773243
N-(4-bromophenyl)-2-(3-ethyl-2-oxoimidazol-1-yl)acetamide
CID 116624275
N-(4-acetylphenyl)-5-(4-bromophenyl)-5-oxopentanamide
CID 110423647
N-(4-bromophenyl)-3-methylbut-3-enamide
CID 68925920
1-[1-(2-hydroxyethyl)pyrrol-3-yl]ethanone
CID 79106828
2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(4-bromophenyl)acetamide
CID 3567894

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylpyrrol-1-yl)-N-(4-bromophenyl)acetamide?
The IUPAC name of 2-(3-acetylpyrrol-1-yl)-N-(4-bromophenyl)acetamide (CID 79107153) is 2-(3-acetylpyrrol-1-yl)-N-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-(3-acetylpyrrol-1-yl)-N-(4-bromophenyl)acetamide?
The canonical SMILES for 2-(3-acetylpyrrol-1-yl)-N-(4-bromophenyl)acetamide is CC(=O)c1ccn(CC(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of 2-(3-acetylpyrrol-1-yl)-N-(4-bromophenyl)acetamide?
The InChIKey is CSNXTONKKDWSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-10(18)11-6-7-17(8-11)9-14(19)16-13-4-2-12(15)3-5-13/h2-8H,9H2,1H3,(H,16,19).
What are the key properties of 2-(3-acetylpyrrol-1-yl)-N-(4-bromophenyl)acetamide?
2-(3-acetylpyrrol-1-yl)-N-(4-bromophenyl)acetamide has a molecular weight of 321.17 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylpyrrol-1-yl)-N-(4-bromophenyl)acetamide is sourced from PubChem (CID 79107153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).