N-[1-(4-bromophenyl)propyl]-2-(2,4-difluorophenoxy)acetamide

C17H16BrF2NO2 — CID 46448423

IUPACN-[1-(4-bromophenyl)propyl]-2-(2,4-difluorophenoxy)acetamide
SMILESCCC(NC(=O)COc1ccc(F)cc1F)c1ccc(Br)cc1
InChIInChI=1S/C17H16BrF2NO2/c1-2-15(11-3-5-12(18)6-4-11)21-17(22)10-23-16-8-7-13(19)9-14(16)20/h3-9,15H,2,10H2,1H3,(H,21,22)
InChIKeyLPEVOUKWWYRCLA-UHFFFAOYSA-N
MW384.22 g/mol
LogP4.37
Rot. Bonds6

About N-[1-(4-bromophenyl)propyl]-2-(2,4-difluorophenoxy)acetamide

N-[1-(4-bromophenyl)propyl]-2-(2,4-difluorophenoxy)acetamide (PubChem CID 46448423) has the molecular formula C17H16BrF2NO2 and a molecular weight of 384.22 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propyl]-2-(2,4-difluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propyl]-2-(2,4-difluorophenoxy)acetamide
PubChem CID46448423
Molecular FormulaC17H16BrF2NO2
Molecular Weight384.22 g/mol
Exact Mass383.03
IUPAC NameN-[1-(4-bromophenyl)propyl]-2-(2,4-difluorophenoxy)acetamide
SMILESCCC(NC(=O)COc1ccc(F)cc1F)c1ccc(Br)cc1
InChIInChI=1S/C17H16BrF2NO2/c1-2-15(11-3-5-12(18)6-4-11)21-17(22)10-23-16-8-7-13(19)9-14(16)20/h3-9,15H,2,10H2,1H3,(H,21,22)
InChIKeyLPEVOUKWWYRCLA-UHFFFAOYSA-N
XLogP4.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.22
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-bromophenyl)propyl]-2-(3-fluorophenoxy)acetamide
CID 8802046
2-(2-bromo-4-fluorophenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 18115468
N-[1,2-bis(4-methoxyphenyl)ethyl]-2-(2,4-difluorophenoxy)acetamide
CID 43060292
N-[(1R)-1-(4-bromophenyl)propyl]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 8563423
N-[(1S)-1-(4-bromophenyl)propyl]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 8563411
[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 7758916
2-(4-bromo-2-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 28958551
N-[bis(4-methoxyphenyl)methyl]-2-(4-bromo-2-fluorophenoxy)acetamide
CID 27716942
2-(4-bromo-2-fluorophenoxy)-N-(2,4-difluorophenyl)acetamide
CID 2523027
2-bromo-N-[1-(4-bromophenyl)propyl]-4-fluorobenzamide
CID 60666299
N-[(2S)-1-aminopropan-2-yl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride
CID 120507855
2-(4-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 9296856

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propyl]-2-(2,4-difluorophenoxy)acetamide?
The IUPAC name of N-[1-(4-bromophenyl)propyl]-2-(2,4-difluorophenoxy)acetamide (CID 46448423) is N-[1-(4-bromophenyl)propyl]-2-(2,4-difluorophenoxy)acetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)propyl]-2-(2,4-difluorophenoxy)acetamide?
The canonical SMILES for N-[1-(4-bromophenyl)propyl]-2-(2,4-difluorophenoxy)acetamide is CCC(NC(=O)COc1ccc(F)cc1F)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propyl]-2-(2,4-difluorophenoxy)acetamide?
The InChIKey is LPEVOUKWWYRCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrF2NO2/c1-2-15(11-3-5-12(18)6-4-11)21-17(22)10-23-16-8-7-13(19)9-14(16)20/h3-9,15H,2,10H2,1H3,(H,21,22).
What are the key properties of N-[1-(4-bromophenyl)propyl]-2-(2,4-difluorophenoxy)acetamide?
N-[1-(4-bromophenyl)propyl]-2-(2,4-difluorophenoxy)acetamide has a molecular weight of 384.22 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propyl]-2-(2,4-difluorophenoxy)acetamide is sourced from PubChem (CID 46448423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).