2-(2-bromo-4-chlorophenoxy)-N-[1-(2,4-dimethoxyphenyl)ethyl]propanamide

C19H21BrClNO4 — CID 55580167

IUPAC2-(2-bromo-4-chlorophenoxy)-N-[1-(2,4-dimethoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(C(C)NC(=O)C(C)Oc2ccc(Cl)cc2Br)c(OC)c1
InChIInChI=1S/C19H21BrClNO4/c1-11(15-7-6-14(24-3)10-18(15)25-4)22-19(23)12(2)26-17-8-5-13(21)9-16(17)20/h5-12H,1-4H3,(H,22,23)
InChIKeyFYULOIITXMJGJE-UHFFFAOYSA-N
MW442.74 g/mol
LogP4.76
Rot. Bonds7

About 2-(2-bromo-4-chlorophenoxy)-N-[1-(2,4-dimethoxyphenyl)ethyl]propanamide

2-(2-bromo-4-chlorophenoxy)-N-[1-(2,4-dimethoxyphenyl)ethyl]propanamide (PubChem CID 55580167) has the molecular formula C19H21BrClNO4 and a molecular weight of 442.74 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-[1-(2,4-dimethoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-[1-(2,4-dimethoxyphenyl)ethyl]propanamide
PubChem CID55580167
Molecular FormulaC19H21BrClNO4
Molecular Weight442.74 g/mol
Exact Mass441.03
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-[1-(2,4-dimethoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(C(C)NC(=O)C(C)Oc2ccc(Cl)cc2Br)c(OC)c1
InChIInChI=1S/C19H21BrClNO4/c1-11(15-7-6-14(24-3)10-18(15)25-4)22-19(23)12(2)26-17-8-5-13(21)9-16(17)20/h5-12H,1-4H3,(H,22,23)
InChIKeyFYULOIITXMJGJE-UHFFFAOYSA-N
XLogP4.76
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.74
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 133224959
(2R)-2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylpropanamide
CID 40773106
methyl 2-[2-(2-bromo-4-chlorophenoxy)propanoylamino]propanoate
CID 60727143
(2R)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(4-methoxyphenoxy)propanamide
CID 7865722
2-[2-(2-bromo-4-chlorophenoxy)propanoylamino]propanoic acid
CID 43170814
2-(2-bromo-4-methoxyphenoxy)-N-butan-2-ylpropanamide
CID 104704703
(2R)-2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 8728140
(2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(2-methoxyphenoxy)propanamide
CID 7834441
2-(2-bromo-4-chlorophenoxy)-N-(4-hydroxybutan-2-yl)propanamide
CID 115283555
methyl 2-(2-bromo-4-chlorophenoxy)propanoate
CID 20526233
2-(2-bromo-4-chlorophenoxy)-N-carbamoylpropanamide
CID 3901807
(2R)-2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide
CID 79011400

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[1-(2,4-dimethoxyphenyl)ethyl]propanamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[1-(2,4-dimethoxyphenyl)ethyl]propanamide (CID 55580167) is 2-(2-bromo-4-chlorophenoxy)-N-[1-(2,4-dimethoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-[1-(2,4-dimethoxyphenyl)ethyl]propanamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-[1-(2,4-dimethoxyphenyl)ethyl]propanamide is COc1ccc(C(C)NC(=O)C(C)Oc2ccc(Cl)cc2Br)c(OC)c1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-[1-(2,4-dimethoxyphenyl)ethyl]propanamide?
The InChIKey is FYULOIITXMJGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrClNO4/c1-11(15-7-6-14(24-3)10-18(15)25-4)22-19(23)12(2)26-17-8-5-13(21)9-16(17)20/h5-12H,1-4H3,(H,22,23).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-[1-(2,4-dimethoxyphenyl)ethyl]propanamide?
2-(2-bromo-4-chlorophenoxy)-N-[1-(2,4-dimethoxyphenyl)ethyl]propanamide has a molecular weight of 442.74 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-[1-(2,4-dimethoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 55580167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).