N-(4-bromophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide

C15H18BrN3O — CID 79099508

IUPACN-(4-bromophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide
SMILESCNC(C)c1ccn(CC(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C15H18BrN3O/c1-11(17-2)12-7-8-19(9-12)10-15(20)18-14-5-3-13(16)4-6-14/h3-9,11,17H,10H2,1-2H3,(H,18,20)
InChIKeyIZJJEBOKSNXLEP-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.17
Rot. Bonds5

About N-(4-bromophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide

N-(4-bromophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide (PubChem CID 79099508) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide
PubChem CID79099508
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC NameN-(4-bromophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide
SMILESCNC(C)c1ccn(CC(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C15H18BrN3O/c1-11(17-2)12-7-8-19(9-12)10-15(20)18-14-5-3-13(16)4-6-14/h3-9,11,17H,10H2,1-2H3,(H,18,20)
InChIKeyIZJJEBOKSNXLEP-UHFFFAOYSA-N
XLogP3.17
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-acetylpyrrol-1-yl)-N-(4-bromophenyl)acetamide
CID 79107153
N-(2-bromophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide
CID 79098643
N-(3-fluorophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide
CID 79099131
2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide
CID 79098210
N-(4-chlorophenyl)-2-[3-(1-hydroxypropyl)pyrrol-1-yl]acetamide
CID 79104858
N-(4-bromophenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773243
N-[4-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507580
2-(4-bromophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 1278156
N-(4-bromophenyl)-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide
CID 116625100
N-(4-bromophenyl)-4-methylpentanamide
CID 28780538
N-(3-bromophenyl)-2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]acetamide
CID 79090031
N-methyl-1-[1-(2-methylpropyl)pyrrol-3-yl]ethanamine
CID 79099719

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide (CID 79099508) is N-(4-bromophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide is CNC(C)c1ccn(CC(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of N-(4-bromophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide?
The InChIKey is IZJJEBOKSNXLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-11(17-2)12-7-8-19(9-12)10-15(20)18-14-5-3-13(16)4-6-14/h3-9,11,17H,10H2,1-2H3,(H,18,20).
What are the key properties of N-(4-bromophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide?
N-(4-bromophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide has a molecular weight of 336.23 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide is sourced from PubChem (CID 79099508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).