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

C12H14Br2N2O2 — CID 62917994

IUPACN-(2,4-dibromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCC(O)C1)Nc1ccc(Br)cc1Br
InChIInChI=1S/C12H14Br2N2O2/c13-8-1-2-11(10(14)5-8)15-12(18)7-16-4-3-9(17)6-16/h1-2,5,9,17H,3-4,6-7H2,(H,15,18)
InChIKeyCZGRPFWINAKSHM-UHFFFAOYSA-N
MW378.06 g/mol
LogP2.22
Rot. Bonds3

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

N-(2,4-dibromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide (PubChem CID 62917994) has the molecular formula C12H14Br2N2O2 and a molecular weight of 378.06 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
PubChem CID62917994
Molecular FormulaC12H14Br2N2O2
Molecular Weight378.06 g/mol
Exact Mass375.94
IUPAC NameN-(2,4-dibromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCC(O)C1)Nc1ccc(Br)cc1Br
InChIInChI=1S/C12H14Br2N2O2/c13-8-1-2-11(10(14)5-8)15-12(18)7-16-4-3-9(17)6-16/h1-2,5,9,17H,3-4,6-7H2,(H,15,18)
InChIKeyCZGRPFWINAKSHM-UHFFFAOYSA-N
XLogP2.22
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.06
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62916119
N-(2,4-dibromophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975668
N-(4-bromo-2-methylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898013
N-(2,6-dibromo-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78962201
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(4-bromo-2-fluorophenyl)acetamide;hydrochloride
CID 119905456
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 111332577
N-(2,3-dimethylphenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963336
N-(5-fluoro-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62917861
N-(2,4-dibromophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728546
N-(2-amino-4-methoxyphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62917017
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(4-bromo-2-fluorophenyl)acetamide
CID 11940567
2-(4-amino-3-methylpiperidin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide
CID 79868182

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide?
The IUPAC name of N-(2,4-dibromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide (CID 62917994) is N-(2,4-dibromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(2,4-dibromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(2,4-dibromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide is O=C(CN1CCC(O)C1)Nc1ccc(Br)cc1Br.
What is the InChIKey of N-(2,4-dibromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide?
The InChIKey is CZGRPFWINAKSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2N2O2/c13-8-1-2-11(10(14)5-8)15-12(18)7-16-4-3-9(17)6-16/h1-2,5,9,17H,3-4,6-7H2,(H,15,18).
What are the key properties of N-(2,4-dibromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide?
N-(2,4-dibromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide has a molecular weight of 378.06 g/mol, XLogP of 2.22, 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-hydroxypyrrolidin-1-yl)acetamide is sourced from PubChem (CID 62917994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).