2-(3-bromophenoxy)-N-[2-[2-(difluoromethoxy)phenyl]ethyl]acetamide

C17H16BrF2NO3 — CID 112772196

IUPAC2-(3-bromophenoxy)-N-[2-[2-(difluoromethoxy)phenyl]ethyl]acetamide
SMILESO=C(COc1cccc(Br)c1)NCCc1ccccc1OC(F)F
InChIInChI=1S/C17H16BrF2NO3/c18-13-5-3-6-14(10-13)23-11-16(22)21-9-8-12-4-1-2-7-15(12)24-17(19)20/h1-7,10,17H,8-9,11H2,(H,21,22)
InChIKeyNHHSAAFUVZALPO-UHFFFAOYSA-N
MW400.22 g/mol
LogP3.79
Rot. Bonds8

About 2-(3-bromophenoxy)-N-[2-[2-(difluoromethoxy)phenyl]ethyl]acetamide

2-(3-bromophenoxy)-N-[2-[2-(difluoromethoxy)phenyl]ethyl]acetamide (PubChem CID 112772196) has the molecular formula C17H16BrF2NO3 and a molecular weight of 400.22 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-[2-[2-(difluoromethoxy)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-[2-[2-(difluoromethoxy)phenyl]ethyl]acetamide
PubChem CID112772196
Molecular FormulaC17H16BrF2NO3
Molecular Weight400.22 g/mol
Exact Mass399.03
IUPAC Name2-(3-bromophenoxy)-N-[2-[2-(difluoromethoxy)phenyl]ethyl]acetamide
SMILESO=C(COc1cccc(Br)c1)NCCc1ccccc1OC(F)F
InChIInChI=1S/C17H16BrF2NO3/c18-13-5-3-6-14(10-13)23-11-16(22)21-9-8-12-4-1-2-7-15(12)24-17(19)20/h1-7,10,17H,8-9,11H2,(H,21,22)
InChIKeyNHHSAAFUVZALPO-UHFFFAOYSA-N
XLogP3.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.22
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[2-(3-bromophenoxy)acetyl]amino]ethyl]-2-methylpropanamide
CID 30764659
2-(3-bromophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7935362
2-(6-bromonaphthalen-2-yl)oxy-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 9231224
2-(3-bromophenoxy)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119502782
N-[2-[2-(difluoromethoxy)phenyl]ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 112815547
2-(3-bromophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 8919159
N-[2-(2-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 8911196
2-(3-bromophenoxy)-N-(2-hydroxybutyl)acetamide
CID 115577661
2-(3-bromophenoxy)-N'-(2-phenoxyacetyl)propanehydrazide
CID 51161488
2-(3,4-dimethylphenoxy)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 26777794
2-[3-[[[N-[[2-(difluoromethoxy)phenyl]methyl]-N'-methylcarbamimidoyl]amino]methyl]phenoxy]-N-ethylacetamide
CID 111864674
2-(3-bromophenoxy)-N-(2,3-dihydroxypropyl)acetamide
CID 66174959

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-[2-[2-(difluoromethoxy)phenyl]ethyl]acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-[2-[2-(difluoromethoxy)phenyl]ethyl]acetamide (CID 112772196) is 2-(3-bromophenoxy)-N-[2-[2-(difluoromethoxy)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-[2-[2-(difluoromethoxy)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-[2-[2-(difluoromethoxy)phenyl]ethyl]acetamide is O=C(COc1cccc(Br)c1)NCCc1ccccc1OC(F)F.
What is the InChIKey of 2-(3-bromophenoxy)-N-[2-[2-(difluoromethoxy)phenyl]ethyl]acetamide?
The InChIKey is NHHSAAFUVZALPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrF2NO3/c18-13-5-3-6-14(10-13)23-11-16(22)21-9-8-12-4-1-2-7-15(12)24-17(19)20/h1-7,10,17H,8-9,11H2,(H,21,22).
What are the key properties of 2-(3-bromophenoxy)-N-[2-[2-(difluoromethoxy)phenyl]ethyl]acetamide?
2-(3-bromophenoxy)-N-[2-[2-(difluoromethoxy)phenyl]ethyl]acetamide has a molecular weight of 400.22 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-[2-[2-(difluoromethoxy)phenyl]ethyl]acetamide is sourced from PubChem (CID 112772196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).