2-[[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]-N-(2-bromophenyl)acetamide

C24H26BrN3O2 — CID 24681191

IUPAC2-[[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]-N-(2-bromophenyl)acetamide
SMILESCc1cc(C(=O)CN(C)CC(=O)Nc2ccccc2Br)c(C)n1Cc1ccccc1
InChIInChI=1S/C24H26BrN3O2/c1-17-13-20(18(2)28(17)14-19-9-5-4-6-10-19)23(29)15-27(3)16-24(30)26-22-12-8-7-11-21(22)25/h4-13H,14-16H2,1-3H3,(H,26,30)
InChIKeyUHEBOLGCEFSSQB-UHFFFAOYSA-N
MW468.40 g/mol
LogP4.67
Rot. Bonds8

About 2-[[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]-N-(2-bromophenyl)acetamide

2-[[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]-N-(2-bromophenyl)acetamide (PubChem CID 24681191) has the molecular formula C24H26BrN3O2 and a molecular weight of 468.40 g/mol. Its IUPAC name is 2-[[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]-N-(2-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]-N-(2-bromophenyl)acetamide
PubChem CID24681191
Molecular FormulaC24H26BrN3O2
Molecular Weight468.40 g/mol
Exact Mass467.12
IUPAC Name2-[[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]-N-(2-bromophenyl)acetamide
SMILESCc1cc(C(=O)CN(C)CC(=O)Nc2ccccc2Br)c(C)n1Cc1ccccc1
InChIInChI=1S/C24H26BrN3O2/c1-17-13-20(18(2)28(17)14-19-9-5-4-6-10-19)23(29)15-27(3)16-24(30)26-22-12-8-7-11-21(22)25/h4-13H,14-16H2,1-3H3,(H,26,30)
InChIKeyUHEBOLGCEFSSQB-UHFFFAOYSA-N
XLogP4.67
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.40
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-2-[[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide
CID 8552527
2-[[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 78828807
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78788147
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)acetamide
CID 9252643
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-ethylacetamide
CID 47104711
1-benzyl-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxamide
CID 34400540
[2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxoethyl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate
CID 36692272
methyl N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
CID 9252610
N-(2-bromophenyl)-2-[methyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetamide
CID 9252567
N-(2-bromophenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 2959503
1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanone
CID 56561782
2-[[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]-N-tert-butylacetamide
CID 8768709

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]-N-(2-bromophenyl)acetamide?
The IUPAC name of 2-[[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]-N-(2-bromophenyl)acetamide (CID 24681191) is 2-[[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]-N-(2-bromophenyl)acetamide.
What is the SMILES notation for 2-[[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]-N-(2-bromophenyl)acetamide?
The canonical SMILES for 2-[[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]-N-(2-bromophenyl)acetamide is Cc1cc(C(=O)CN(C)CC(=O)Nc2ccccc2Br)c(C)n1Cc1ccccc1.
What is the InChIKey of 2-[[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]-N-(2-bromophenyl)acetamide?
The InChIKey is UHEBOLGCEFSSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BrN3O2/c1-17-13-20(18(2)28(17)14-19-9-5-4-6-10-19)23(29)15-27(3)16-24(30)26-22-12-8-7-11-21(22)25/h4-13H,14-16H2,1-3H3,(H,26,30).
What are the key properties of 2-[[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]-N-(2-bromophenyl)acetamide?
2-[[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]-N-(2-bromophenyl)acetamide has a molecular weight of 468.40 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]-N-(2-bromophenyl)acetamide is sourced from PubChem (CID 24681191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).