N-(2-bromo-4,6-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide

C12H15BrF2N2O2 — CID 111519510

IUPACN-(2-bromo-4,6-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide
SMILESCCN(CCO)CC(=O)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C12H15BrF2N2O2/c1-2-17(3-4-18)7-11(19)16-12-9(13)5-8(14)6-10(12)15/h5-6,18H,2-4,7H2,1H3,(H,16,19)
InChIKeyIKXMAUPUGOQMTD-UHFFFAOYSA-N
MW337.16 g/mol
LogP1.98
Rot. Bonds6

About N-(2-bromo-4,6-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide

N-(2-bromo-4,6-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide (PubChem CID 111519510) has the molecular formula C12H15BrF2N2O2 and a molecular weight of 337.16 g/mol. Its IUPAC name is N-(2-bromo-4,6-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-bromo-4,6-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide
PubChem CID111519510
Molecular FormulaC12H15BrF2N2O2
Molecular Weight337.16 g/mol
Exact Mass336.03
IUPAC NameN-(2-bromo-4,6-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide
SMILESCCN(CCO)CC(=O)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C12H15BrF2N2O2/c1-2-17(3-4-18)7-11(19)16-12-9(13)5-8(14)6-10(12)15/h5-6,18H,2-4,7H2,1H3,(H,16,19)
InChIKeyIKXMAUPUGOQMTD-UHFFFAOYSA-N
XLogP1.98
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(2-fluorophenyl)acetamide
CID 2458145
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)propanamide
CID 4833233
2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2698584
2-[[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 16296016
Acetamide, N-(2-bromophenyl)-2-(diethylamino)-
CID 3026024
N-(4-bromo-2-fluorophenyl)-N'-(2-methoxyethyl)ethanediamide
CID 3954578
N-(2-bromophenyl)-2-(2-hydroxypropylamino)acetamide
CID 4878607
N'-(4-Bromo-2-fluorophenyl)-N,N-diethylethanediamide
CID 2196008
N-(4-bromophenyl)-N'-(2-hydroxyethyl)ethanediamide
CID 2302658
N-(4-bromo-2-fluorophenyl)-2-(4-methylmorpholin-4-ium-4-yl)acetamide
CID 2480161
N-(2-bromo-4,6-difluorophenyl)-N'-methylethanediamide
CID 2986147
N-(2-bromo-4,6-difluorophenyl)-N'-cyclopropylethanediamide
CID 2986821

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide?
The IUPAC name of N-(2-bromo-4,6-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide (CID 111519510) is N-(2-bromo-4,6-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide.
What is the SMILES notation for N-(2-bromo-4,6-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide?
The canonical SMILES for N-(2-bromo-4,6-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide is CCN(CCO)CC(=O)Nc1c(F)cc(F)cc1Br.
What is the InChIKey of N-(2-bromo-4,6-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide?
The InChIKey is IKXMAUPUGOQMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrF2N2O2/c1-2-17(3-4-18)7-11(19)16-12-9(13)5-8(14)6-10(12)15/h5-6,18H,2-4,7H2,1H3,(H,16,19).
What are the key properties of N-(2-bromo-4,6-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide?
N-(2-bromo-4,6-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide has a molecular weight of 337.16 g/mol, XLogP of 1.98, 6 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-[ethyl(2-hydroxyethyl)amino]acetamide is sourced from PubChem (CID 111519510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).