N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(3-chlorophenoxy)acetamide

C17H17BrClNO3 — CID 8963319

IUPACN-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(3-chlorophenoxy)acetamide
SMILESCOc1ccc([C@@H](C)NC(=O)COc2cccc(Cl)c2)cc1Br
InChIInChI=1S/C17H17BrClNO3/c1-11(12-6-7-16(22-2)15(18)8-12)20-17(21)10-23-14-5-3-4-13(19)9-14/h3-9,11H,10H2,1-2H3,(H,20,21)/t11-/m1/s1
InChIKeyMZNRZSVDIIAIIB-LLVKDONJSA-N
MW398.68 g/mol
LogP4.37
Rot. Bonds6

About N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(3-chlorophenoxy)acetamide

N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(3-chlorophenoxy)acetamide (PubChem CID 8963319) has the molecular formula C17H17BrClNO3 and a molecular weight of 398.68 g/mol. Its IUPAC name is N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(3-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(3-chlorophenoxy)acetamide
PubChem CID8963319
Molecular FormulaC17H17BrClNO3
Molecular Weight398.68 g/mol
Exact Mass397.01
IUPAC NameN-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(3-chlorophenoxy)acetamide
SMILESCOc1ccc([C@@H](C)NC(=O)COc2cccc(Cl)c2)cc1Br
InChIInChI=1S/C17H17BrClNO3/c1-11(12-6-7-16(22-2)15(18)8-12)20-17(21)10-23-14-5-3-4-13(19)9-14/h3-9,11H,10H2,1-2H3,(H,20,21)/t11-/m1/s1
InChIKeyMZNRZSVDIIAIIB-LLVKDONJSA-N
XLogP4.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.68
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(3-chlorophenoxy)acetamide
CID 8963314
2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 99133008
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(4-fluorophenoxy)acetamide
CID 84884828
N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
CID 8963294
N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2-chloro-5-methylphenoxy)acetamide
CID 8963184
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-chloroacetamide
CID 43701574
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 7944732
N-[1-(4-bromophenyl)ethyl]-2-(3-methoxyphenoxy)acetamide
CID 78760781
2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide
CID 43713382
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 18200818
(2S,3R)-2-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 104964349
N-[(2R)-1-aminopropan-2-yl]-2-(3-chlorophenoxy)acetamide
CID 104872802

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(3-chlorophenoxy)acetamide?
The IUPAC name of N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(3-chlorophenoxy)acetamide (CID 8963319) is N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(3-chlorophenoxy)acetamide.
What is the SMILES notation for N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(3-chlorophenoxy)acetamide?
The canonical SMILES for N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(3-chlorophenoxy)acetamide is COc1ccc([C@@H](C)NC(=O)COc2cccc(Cl)c2)cc1Br.
What is the InChIKey of N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(3-chlorophenoxy)acetamide?
The InChIKey is MZNRZSVDIIAIIB-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17BrClNO3/c1-11(12-6-7-16(22-2)15(18)8-12)20-17(21)10-23-14-5-3-4-13(19)9-14/h3-9,11H,10H2,1-2H3,(H,20,21)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(3-chlorophenoxy)acetamide?
N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(3-chlorophenoxy)acetamide has a molecular weight of 398.68 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(3-chlorophenoxy)acetamide is sourced from PubChem (CID 8963319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).