N-(2,4-dibromophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide

C13H16Br2N2O2 — CID 103728546

IUPACN-(2,4-dibromophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
SMILESCC1(O)CCN(CC(=O)Nc2ccc(Br)cc2Br)C1
InChIInChI=1S/C13H16Br2N2O2/c1-13(19)4-5-17(8-13)7-12(18)16-11-3-2-9(14)6-10(11)15/h2-3,6,19H,4-5,7-8H2,1H3,(H,16,18)
InChIKeyDCOIKRXKENBVCX-UHFFFAOYSA-N
MW392.09 g/mol
LogP2.61
Rot. Bonds3

About N-(2,4-dibromophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide

N-(2,4-dibromophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide (PubChem CID 103728546) has the molecular formula C13H16Br2N2O2 and a molecular weight of 392.09 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
PubChem CID103728546
Molecular FormulaC13H16Br2N2O2
Molecular Weight392.09 g/mol
Exact Mass389.96
IUPAC NameN-(2,4-dibromophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
SMILESCC1(O)CCN(CC(=O)Nc2ccc(Br)cc2Br)C1
InChIInChI=1S/C13H16Br2N2O2/c1-13(19)4-5-17(8-13)7-12(18)16-11-3-2-9(14)6-10(11)15/h2-3,6,19H,4-5,7-8H2,1H3,(H,16,18)
InChIKeyDCOIKRXKENBVCX-UHFFFAOYSA-N
XLogP2.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.09
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728446
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(4-methylphenyl)acetamide
CID 103728385
N-(5-amino-2-chlorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103355475
N-(2,4-dibromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62917994
N-(2,4-dibromophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975668
N-(3,4-difluorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728541
N-(2,4-dibromophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2558770
N-(2-bromophenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 115305227
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(3-methoxyphenyl)acetamide
CID 103728804
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 103728328
N-(4-amino-2-methoxyphenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 81098626
methyl N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]carbamate
CID 103728689

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-(2,4-dibromophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide (CID 103728546) is N-(2,4-dibromophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(2,4-dibromophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(2,4-dibromophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide is CC1(O)CCN(CC(=O)Nc2ccc(Br)cc2Br)C1.
What is the InChIKey of N-(2,4-dibromophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide?
The InChIKey is DCOIKRXKENBVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br2N2O2/c1-13(19)4-5-17(8-13)7-12(18)16-11-3-2-9(14)6-10(11)15/h2-3,6,19H,4-5,7-8H2,1H3,(H,16,18).
What are the key properties of N-(2,4-dibromophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide?
N-(2,4-dibromophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide has a molecular weight of 392.09 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 103728546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).