2-(2-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide

C13H17BrN2O2 — CID 120946157

IUPAC2-(2-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
SMILESO=C(Cc1ccccc1Br)NCC1CNCC1O
InChIInChI=1S/C13H17BrN2O2/c14-11-4-2-1-3-9(11)5-13(18)16-7-10-6-15-8-12(10)17/h1-4,10,12,15,17H,5-8H2,(H,16,18)
InChIKeyOCBHGMFTIHAAAR-UHFFFAOYSA-N
MW313.19 g/mol
LogP0.69
Rot. Bonds4

About 2-(2-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide

2-(2-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide (PubChem CID 120946157) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
PubChem CID120946157
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name2-(2-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
SMILESO=C(Cc1ccccc1Br)NCC1CNCC1O
InChIInChI=1S/C13H17BrN2O2/c14-11-4-2-1-3-9(11)5-13(18)16-7-10-6-15-8-12(10)17/h1-4,10,12,15,17H,5-8H2,(H,16,18)
InChIKeyOCBHGMFTIHAAAR-UHFFFAOYSA-N
XLogP0.69
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride
CID 120945888
2-(2,6-dichlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 120944560
2-bromo-6-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120944140
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride
CID 120944089
N-[[(3S,4S)-4-[(2-bromophenyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanecarboxamide
CID 68837219
2-(2,5-difluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120945363
3-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 120948869
1-(azetidin-3-yl)-2-(2-bromophenyl)ethanone
CID 116583679
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 120947063
3-bromo-N-[2-[(4-hydroxypyrrolidin-3-yl)methylamino]-2-oxoethyl]benzamide;hydrochloride
CID 120946950
2-(2,6-dimethoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120943517
3-bromo-N-[(4-hydroxypyrrolidin-3-yl)methyl]thiophene-2-carboxamide;hydrochloride
CID 120945311

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide?
The IUPAC name of 2-(2-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide (CID 120946157) is 2-(2-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide?
The canonical SMILES for 2-(2-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide is O=C(Cc1ccccc1Br)NCC1CNCC1O.
What is the InChIKey of 2-(2-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide?
The InChIKey is OCBHGMFTIHAAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c14-11-4-2-1-3-9(11)5-13(18)16-7-10-6-15-8-12(10)17/h1-4,10,12,15,17H,5-8H2,(H,16,18).
What are the key properties of 2-(2-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide?
2-(2-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide has a molecular weight of 313.19 g/mol, XLogP of 0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide is sourced from PubChem (CID 120946157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).