2-(4-bromo-2-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide

C18H19BrClNO3 — CID 28958551

IUPAC2-(4-bromo-2-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
SMILESCC[C@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc(OC)cc1
InChIInChI=1S/C18H19BrClNO3/c1-3-16(12-4-7-14(23-2)8-5-12)21-18(22)11-24-17-9-6-13(19)10-15(17)20/h4-10,16H,3,11H2,1-2H3,(H,21,22)/t16-/m0/s1
InChIKeyBWSLGFOTVWPOHG-INIZCTEOSA-N
MW412.71 g/mol
LogP4.76
Rot. Bonds7

About 2-(4-bromo-2-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide

2-(4-bromo-2-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide (PubChem CID 28958551) has the molecular formula C18H19BrClNO3 and a molecular weight of 412.71 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
PubChem CID28958551
Molecular FormulaC18H19BrClNO3
Molecular Weight412.71 g/mol
Exact Mass411.02
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
SMILESCC[C@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc(OC)cc1
InChIInChI=1S/C18H19BrClNO3/c1-3-16(12-4-7-14(23-2)8-5-12)21-18(22)11-24-17-9-6-13(19)10-15(17)20/h4-10,16H,3,11H2,1-2H3,(H,21,22)/t16-/m0/s1
InChIKeyBWSLGFOTVWPOHG-INIZCTEOSA-N
XLogP4.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.71
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-fluorophenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 18115468
2-(3-bromophenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 18192757
2-(4-methoxyphenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 46763951
2-(2,4-dichlorophenoxy)-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]acetamide
CID 99993791
3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-3-phenylpropanoic acid
CID 45461596
2-(4-bromo-2-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 1287772
N-[bis(4-methoxyphenyl)methyl]-2-(4-bromo-2-fluorophenoxy)acetamide
CID 27716942
2-(4-bromo-3-methylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 28636573
[(2R)-2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-2-phenylethyl]-dimethylazanium
CID 8937811
2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 40662016
3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 133184821
2-(4-methoxyphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 8910299

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide (CID 28958551) is 2-(4-bromo-2-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide is CC[C@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc(OC)cc1.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide?
The InChIKey is BWSLGFOTVWPOHG-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19BrClNO3/c1-3-16(12-4-7-14(23-2)8-5-12)21-18(22)11-24-17-9-6-13(19)10-15(17)20/h4-10,16H,3,11H2,1-2H3,(H,21,22)/t16-/m0/s1.
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide?
2-(4-bromo-2-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide has a molecular weight of 412.71 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide is sourced from PubChem (CID 28958551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).