2-[[2-(4-bromophenoxy)acetyl]-ethylamino]-N-(2,6-difluorophenyl)acetamide

C18H17BrF2N2O3 — CID 26266273

IUPAC2-[[2-(4-bromophenoxy)acetyl]-ethylamino]-N-(2,6-difluorophenyl)acetamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)COc1ccc(Br)cc1
InChIInChI=1S/C18H17BrF2N2O3/c1-2-23(17(25)11-26-13-8-6-12(19)7-9-13)10-16(24)22-18-14(20)4-3-5-15(18)21/h3-9H,2,10-11H2,1H3,(H,22,24)
InChIKeyQKZCOAYDVKRCBB-UHFFFAOYSA-N
MW427.25 g/mol
LogP3.59
Rot. Bonds7

About 2-[[2-(4-bromophenoxy)acetyl]-ethylamino]-N-(2,6-difluorophenyl)acetamide

2-[[2-(4-bromophenoxy)acetyl]-ethylamino]-N-(2,6-difluorophenyl)acetamide (PubChem CID 26266273) has the molecular formula C18H17BrF2N2O3 and a molecular weight of 427.25 g/mol. Its IUPAC name is 2-[[2-(4-bromophenoxy)acetyl]-ethylamino]-N-(2,6-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-bromophenoxy)acetyl]-ethylamino]-N-(2,6-difluorophenyl)acetamide
PubChem CID26266273
Molecular FormulaC18H17BrF2N2O3
Molecular Weight427.25 g/mol
Exact Mass426.04
IUPAC Name2-[[2-(4-bromophenoxy)acetyl]-ethylamino]-N-(2,6-difluorophenyl)acetamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)COc1ccc(Br)cc1
InChIInChI=1S/C18H17BrF2N2O3/c1-2-23(17(25)11-26-13-8-6-12(19)7-9-13)10-16(24)22-18-14(20)4-3-5-15(18)21/h3-9H,2,10-11H2,1H3,(H,22,24)
InChIKeyQKZCOAYDVKRCBB-UHFFFAOYSA-N
XLogP3.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.25
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-difluorophenyl)-2-[ethyl-[2-(2-methoxyphenoxy)acetyl]amino]acetamide
CID 26266266
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-phenoxybutanamide
CID 25161505
2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(2,6-difluorophenyl)acetamide
CID 9288819
3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpropanamide
CID 119266607
2-[[2-(3,4-dichlorophenoxy)acetyl]-ethylamino]-N-(2,6-dichlorophenyl)acetamide
CID 37030746
N-(2,6-dichlorophenyl)-2-[[2-(3,4-dimethylphenoxy)acetyl]-ethylamino]acetamide
CID 25314167
2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N,N-diethylacetamide
CID 78812720
2-(2,4-dichlorophenyl)-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylacetamide
CID 38369391
2-[ethyl-(2-phenoxyacetyl)amino]-N-(3-methoxyphenyl)acetamide
CID 9094787
N-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-3-(difluoromethoxy)benzamide
CID 30794603
N-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 38370231
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide
CID 25161960

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromophenoxy)acetyl]-ethylamino]-N-(2,6-difluorophenyl)acetamide?
The IUPAC name of 2-[[2-(4-bromophenoxy)acetyl]-ethylamino]-N-(2,6-difluorophenyl)acetamide (CID 26266273) is 2-[[2-(4-bromophenoxy)acetyl]-ethylamino]-N-(2,6-difluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(4-bromophenoxy)acetyl]-ethylamino]-N-(2,6-difluorophenyl)acetamide?
The canonical SMILES for 2-[[2-(4-bromophenoxy)acetyl]-ethylamino]-N-(2,6-difluorophenyl)acetamide is CCN(CC(=O)Nc1c(F)cccc1F)C(=O)COc1ccc(Br)cc1.
What is the InChIKey of 2-[[2-(4-bromophenoxy)acetyl]-ethylamino]-N-(2,6-difluorophenyl)acetamide?
The InChIKey is QKZCOAYDVKRCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrF2N2O3/c1-2-23(17(25)11-26-13-8-6-12(19)7-9-13)10-16(24)22-18-14(20)4-3-5-15(18)21/h3-9H,2,10-11H2,1H3,(H,22,24).
What are the key properties of 2-[[2-(4-bromophenoxy)acetyl]-ethylamino]-N-(2,6-difluorophenyl)acetamide?
2-[[2-(4-bromophenoxy)acetyl]-ethylamino]-N-(2,6-difluorophenyl)acetamide has a molecular weight of 427.25 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromophenoxy)acetyl]-ethylamino]-N-(2,6-difluorophenyl)acetamide is sourced from PubChem (CID 26266273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).