N-(2-bromo-4-methylphenyl)-2-[3-[(2-oxopyrrolidin-1-yl)methyl]anilino]propanamide

C21H24BrN3O2 — CID 55598286

IUPACN-(2-bromo-4-methylphenyl)-2-[3-[(2-oxopyrrolidin-1-yl)methyl]anilino]propanamide
SMILESCc1ccc(NC(=O)C(C)Nc2cccc(CN3CCCC3=O)c2)c(Br)c1
InChIInChI=1S/C21H24BrN3O2/c1-14-8-9-19(18(22)11-14)24-21(27)15(2)23-17-6-3-5-16(12-17)13-25-10-4-7-20(25)26/h3,5-6,8-9,11-12,15,23H,4,7,10,13H2,1-2H3,(H,24,27)
InChIKeyOVSBJJAUCNGNCJ-UHFFFAOYSA-N
MW430.35 g/mol
LogP4.32
Rot. Bonds6

About N-(2-bromo-4-methylphenyl)-2-[3-[(2-oxopyrrolidin-1-yl)methyl]anilino]propanamide

N-(2-bromo-4-methylphenyl)-2-[3-[(2-oxopyrrolidin-1-yl)methyl]anilino]propanamide (PubChem CID 55598286) has the molecular formula C21H24BrN3O2 and a molecular weight of 430.35 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-[3-[(2-oxopyrrolidin-1-yl)methyl]anilino]propanamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-[3-[(2-oxopyrrolidin-1-yl)methyl]anilino]propanamide
PubChem CID55598286
Molecular FormulaC21H24BrN3O2
Molecular Weight430.35 g/mol
Exact Mass429.11
IUPAC NameN-(2-bromo-4-methylphenyl)-2-[3-[(2-oxopyrrolidin-1-yl)methyl]anilino]propanamide
SMILESCc1ccc(NC(=O)C(C)Nc2cccc(CN3CCCC3=O)c2)c(Br)c1
InChIInChI=1S/C21H24BrN3O2/c1-14-8-9-19(18(22)11-14)24-21(27)15(2)23-17-6-3-5-16(12-17)13-25-10-4-7-20(25)26/h3,5-6,8-9,11-12,15,23H,4,7,10,13H2,1-2H3,(H,24,27)
InChIKeyOVSBJJAUCNGNCJ-UHFFFAOYSA-N
XLogP4.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.35
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-oxo-1-[3-[(2-oxopyrrolidin-1-yl)methyl]anilino]propan-2-yl]cyclopentanecarboxamide
CID 51119825
1-(4-methylphenyl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
CID 49470702
2-(3-ethylanilino)-N-(2-fluoro-4-methylphenyl)propanamide
CID 78841829
N-(2-bromo-4-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 110689876
N-(2,4-dimethylphenyl)-2-(3-methylanilino)propanamide
CID 46757367
N-(2-bromophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 36662906
N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-phenoxypropanamide
CID 46600220
1-(4-bromo-2-methylphenyl)-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 112824889
4-bromo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56563195
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 39996091
2-(4-acetamido-3-chloroanilino)-N-(2-bromo-4-methylphenyl)propanamide
CID 24614973
1-[(3-methylphenyl)methyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 38387385

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-[3-[(2-oxopyrrolidin-1-yl)methyl]anilino]propanamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-[3-[(2-oxopyrrolidin-1-yl)methyl]anilino]propanamide (CID 55598286) is N-(2-bromo-4-methylphenyl)-2-[3-[(2-oxopyrrolidin-1-yl)methyl]anilino]propanamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-[3-[(2-oxopyrrolidin-1-yl)methyl]anilino]propanamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-[3-[(2-oxopyrrolidin-1-yl)methyl]anilino]propanamide is Cc1ccc(NC(=O)C(C)Nc2cccc(CN3CCCC3=O)c2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-[3-[(2-oxopyrrolidin-1-yl)methyl]anilino]propanamide?
The InChIKey is OVSBJJAUCNGNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN3O2/c1-14-8-9-19(18(22)11-14)24-21(27)15(2)23-17-6-3-5-16(12-17)13-25-10-4-7-20(25)26/h3,5-6,8-9,11-12,15,23H,4,7,10,13H2,1-2H3,(H,24,27).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-[3-[(2-oxopyrrolidin-1-yl)methyl]anilino]propanamide?
N-(2-bromo-4-methylphenyl)-2-[3-[(2-oxopyrrolidin-1-yl)methyl]anilino]propanamide has a molecular weight of 430.35 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-[3-[(2-oxopyrrolidin-1-yl)methyl]anilino]propanamide is sourced from PubChem (CID 55598286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).