N-(4-bromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide

C12H15BrN2O2 — CID 62916119

IUPACN-(4-bromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCC(O)C1)Nc1ccc(Br)cc1
InChIInChI=1S/C12H15BrN2O2/c13-9-1-3-10(4-2-9)14-12(17)8-15-6-5-11(16)7-15/h1-4,11,16H,5-8H2,(H,14,17)
InChIKeyPPTSGLICLRONGA-UHFFFAOYSA-N
MW299.17 g/mol
LogP1.45
Rot. Bonds3

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

N-(4-bromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide (PubChem CID 62916119) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
PubChem CID62916119
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC NameN-(4-bromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCC(O)C1)Nc1ccc(Br)cc1
InChIInChI=1S/C12H15BrN2O2/c13-9-1-3-10(4-2-9)14-12(17)8-15-6-5-11(16)7-15/h1-4,11,16H,5-8H2,(H,14,17)
InChIKeyPPTSGLICLRONGA-UHFFFAOYSA-N
XLogP1.45
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 55130773
N-(2,4-dibromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62917994
methyl 1-[2-(4-bromoanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 47286802
N-(4-bromophenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 55169623
2-(4-amino-3-ethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide
CID 81459153
2-[1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-4-yl]acetic acid
CID 79611369
N-(1,3-benzodioxol-5-yl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62916161
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(3-iodophenyl)acetamide
CID 78962531
N-(2,6-dibromo-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78962201
N-(4-bromophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248697
2-(4-hydroxypiperidin-1-yl)-N-phenylacetamide
CID 39902294
N-(4-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 60642377

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide (CID 62916119) is N-(4-bromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide is O=C(CN1CCC(O)C1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide?
The InChIKey is PPTSGLICLRONGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c13-9-1-3-10(4-2-9)14-12(17)8-15-6-5-11(16)7-15/h1-4,11,16H,5-8H2,(H,14,17).
What are the key properties of N-(4-bromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide?
N-(4-bromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide has a molecular weight of 299.17 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide is sourced from PubChem (CID 62916119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).