N-(2-bromo-4,6-difluorophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide

C13H15BrF2N2O2 — CID 71985260

IUPACN-(2-bromo-4,6-difluorophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCCC1CO)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C13H15BrF2N2O2/c14-10-4-8(15)5-11(16)13(10)17-12(20)6-18-3-1-2-9(18)7-19/h4-5,9,19H,1-3,6-7H2,(H,17,20)
InChIKeyGKAKSCCFJSBMCN-UHFFFAOYSA-N
MW349.18 g/mol
LogP2.12
Rot. Bonds4

About N-(2-bromo-4,6-difluorophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide

N-(2-bromo-4,6-difluorophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide (PubChem CID 71985260) has the molecular formula C13H15BrF2N2O2 and a molecular weight of 349.18 g/mol. Its IUPAC name is N-(2-bromo-4,6-difluorophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-bromo-4,6-difluorophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
PubChem CID71985260
Molecular FormulaC13H15BrF2N2O2
Molecular Weight349.18 g/mol
Exact Mass348.03
IUPAC NameN-(2-bromo-4,6-difluorophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCCC1CO)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C13H15BrF2N2O2/c14-10-4-8(15)5-11(16)13(10)17-12(20)6-18-3-1-2-9(18)7-19/h4-5,9,19H,1-3,6-7H2,(H,17,20)
InChIKeyGKAKSCCFJSBMCN-UHFFFAOYSA-N
XLogP2.12
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-difluorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942185
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,4,6-triiodophenyl)acetamide
CID 79028646
N-(3-fluorophenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62046362
N-(4-bromo-2-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60685225
N-(2-bromo-4-methylphenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942430
N-(3,4-difluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684646
N-(2-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684580
N-(4-amino-2-bromophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 61406852
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(3,5-difluorophenyl)acetamide;hydrochloride
CID 119926972
N-(2,6-dimethylphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684578
N-(3-bromophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684623
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 111496286

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-difluorophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(2-bromo-4,6-difluorophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide (CID 71985260) is N-(2-bromo-4,6-difluorophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-bromo-4,6-difluorophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(2-bromo-4,6-difluorophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide is O=C(CN1CCCC1CO)Nc1c(F)cc(F)cc1Br.
What is the InChIKey of N-(2-bromo-4,6-difluorophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is GKAKSCCFJSBMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF2N2O2/c14-10-4-8(15)5-11(16)13(10)17-12(20)6-18-3-1-2-9(18)7-19/h4-5,9,19H,1-3,6-7H2,(H,17,20).
What are the key properties of N-(2-bromo-4,6-difluorophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
N-(2-bromo-4,6-difluorophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 349.18 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-difluorophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 71985260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).