N-(2,6-dibromo-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide

C13H16Br2N2O2 — CID 78962201

IUPACN-(2,6-dibromo-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
SMILESCc1cc(Br)c(NC(=O)CN2CC[C@H](O)C2)c(Br)c1
InChIInChI=1S/C13H16Br2N2O2/c1-8-4-10(14)13(11(15)5-8)16-12(19)7-17-3-2-9(18)6-17/h4-5,9,18H,2-3,6-7H2,1H3,(H,16,19)/t9-/m0/s1
InChIKeyVCUINAZEIPPUNB-VIFPVBQESA-N
MW392.09 g/mol
LogP2.53
Rot. Bonds3

About N-(2,6-dibromo-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide

N-(2,6-dibromo-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide (PubChem CID 78962201) has the molecular formula C13H16Br2N2O2 and a molecular weight of 392.09 g/mol. Its IUPAC name is N-(2,6-dibromo-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dibromo-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
PubChem CID78962201
Molecular FormulaC13H16Br2N2O2
Molecular Weight392.09 g/mol
Exact Mass389.96
IUPAC NameN-(2,6-dibromo-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
SMILESCc1cc(Br)c(NC(=O)CN2CC[C@H](O)C2)c(Br)c1
InChIInChI=1S/C13H16Br2N2O2/c1-8-4-10(14)13(11(15)5-8)16-12(19)7-17-3-2-9(18)6-17/h4-5,9,18H,2-3,6-7H2,1H3,(H,16,19)/t9-/m0/s1
InChIKeyVCUINAZEIPPUNB-VIFPVBQESA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2,6-dibromo-4-methylphenyl)acetamide;hydrochloride
CID 119904986
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,6-dibromo-4-methylphenyl)acetamide;hydrochloride
CID 91659383
N-(2,6-dibromo-4-methylphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63264074
2-[(3R)-3-aminopiperidin-1-yl]-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 102977405
methyl 1-[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 2402497
2-(3-hydroxyazetidin-1-yl)-N-(2,4,6-tribromophenyl)acetamide
CID 63281986
N-(4-bromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62916119
N-(2,6-dibromo-4-methylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 79835065
2-(3-hydroxypyrrolidin-1-yl)-N-(2,4,6-triiodophenyl)acetamide
CID 63468164
N-(2,4-dibromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62917994
N-(4-amino-2,6-dichlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 55131355
N-(2,6-dibromo-4-methylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 46801135

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide?
The IUPAC name of N-(2,6-dibromo-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide (CID 78962201) is N-(2,6-dibromo-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dibromo-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(2,6-dibromo-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide is Cc1cc(Br)c(NC(=O)CN2CC[C@H](O)C2)c(Br)c1.
What is the InChIKey of N-(2,6-dibromo-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide?
The InChIKey is VCUINAZEIPPUNB-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16Br2N2O2/c1-8-4-10(14)13(11(15)5-8)16-12(19)7-17-3-2-9(18)6-17/h4-5,9,18H,2-3,6-7H2,1H3,(H,16,19)/t9-/m0/s1.
What are the key properties of N-(2,6-dibromo-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide?
N-(2,6-dibromo-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide has a molecular weight of 392.09 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide is sourced from PubChem (CID 78962201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).