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

C15H18BrN3O — CID 79098643

IUPACN-(2-bromophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide
SMILESCNC(C)c1ccn(CC(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C15H18BrN3O/c1-11(17-2)12-7-8-19(9-12)10-15(20)18-14-6-4-3-5-13(14)16/h3-9,11,17H,10H2,1-2H3,(H,18,20)
InChIKeyCDWMWXWVIOAFNM-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.17
Rot. Bonds5

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

N-(2-bromophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide (PubChem CID 79098643) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide
PubChem CID79098643
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC NameN-(2-bromophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide
SMILESCNC(C)c1ccn(CC(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C15H18BrN3O/c1-11(17-2)12-7-8-19(9-12)10-15(20)18-14-6-4-3-5-13(14)16/h3-9,11,17H,10H2,1-2H3,(H,18,20)
InChIKeyCDWMWXWVIOAFNM-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-[1-(methylamino)ethyl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide
CID 79098210
N-(2-chlorophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide
CID 79098536
N-(2-bromophenyl)-2-[3-(1-hydroxybutyl)pyrrol-1-yl]acetamide
CID 79109826
N-(4-bromophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide
CID 79099508
N-(2-bromophenyl)-2-[3-(hydroxymethyl)pyrrol-1-yl]acetamide
CID 66397839
2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide
CID 79109003
N-(2-fluorophenyl)-2-[3-[1-(methylamino)propyl]pyrrol-1-yl]acetamide
CID 79109479
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
N-(2-bromophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide
CID 102905582
2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-(2-fluorophenyl)acetamide
CID 79099095
N-(2-bromophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106673025
N-(2-bromophenyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
CID 66193364

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide (CID 79098643) is N-(2-bromophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide is CNC(C)c1ccn(CC(=O)Nc2ccccc2Br)c1.
What is the InChIKey of N-(2-bromophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide?
The InChIKey is CDWMWXWVIOAFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-11(17-2)12-7-8-19(9-12)10-15(20)18-14-6-4-3-5-13(14)16/h3-9,11,17H,10H2,1-2H3,(H,18,20).
What are the key properties of N-(2-bromophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide?
N-(2-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-(2-bromophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide is sourced from PubChem (CID 79098643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).