2-(2-bromo-4-ethylphenoxy)-N-[(4-methylphenyl)methyl]acetamide

C18H20BrNO2 — CID 988892

IUPAC2-(2-bromo-4-ethylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
SMILESCCc1ccc(OCC(=O)NCc2ccc(C)cc2)c(Br)c1
InChIInChI=1S/C18H20BrNO2/c1-3-14-8-9-17(16(19)10-14)22-12-18(21)20-11-15-6-4-13(2)5-7-15/h4-10H,3,11-12H2,1-2H3,(H,20,21)
InChIKeyMWRJVPVKIDWVHB-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.02
Rot. Bonds6

About 2-(2-bromo-4-ethylphenoxy)-N-[(4-methylphenyl)methyl]acetamide

2-(2-bromo-4-ethylphenoxy)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 988892) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 2-(2-bromo-4-ethylphenoxy)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-ethylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID988892
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC Name2-(2-bromo-4-ethylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
SMILESCCc1ccc(OCC(=O)NCc2ccc(C)cc2)c(Br)c1
InChIInChI=1S/C18H20BrNO2/c1-3-14-8-9-17(16(19)10-14)22-12-18(21)20-11-15-6-4-13(2)5-7-15/h4-10H,3,11-12H2,1-2H3,(H,20,21)
InChIKeyMWRJVPVKIDWVHB-UHFFFAOYSA-N
XLogP4.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 1289065
2-(2-bromo-4-butan-2-ylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 46761764
2-(2-bromo-4-methylphenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 744767
2-(2-bromo-4-ethylphenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 30393490
2-(2-bromo-4-ethylphenoxy)acetohydrazide
CID 965908
2-(2-bromo-4-ethylphenoxy)-N-[1-(4-methylphenyl)propyl]acetamide
CID 46764494
N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-(2-bromo-4-ethylphenoxy)acetohydrazide
CID 3343767
2-(2-bromo-4-ethylphenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide
CID 4504195
2-(2-bromo-4-ethylphenoxy)-N-tert-butylacetamide
CID 833491
2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 2627667
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-naphthalen-1-ylacetohydrazide
CID 4629735
2-[2-bromo-4-[(4-methylanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 5210106

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-[(4-methylphenyl)methyl]acetamide (CID 988892) is 2-(2-bromo-4-ethylphenoxy)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-ethylphenoxy)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-ethylphenoxy)-N-[(4-methylphenyl)methyl]acetamide is CCc1ccc(OCC(=O)NCc2ccc(C)cc2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-ethylphenoxy)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is MWRJVPVKIDWVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-3-14-8-9-17(16(19)10-14)22-12-18(21)20-11-15-6-4-13(2)5-7-15/h4-10H,3,11-12H2,1-2H3,(H,20,21).
What are the key properties of 2-(2-bromo-4-ethylphenoxy)-N-[(4-methylphenyl)methyl]acetamide?
2-(2-bromo-4-ethylphenoxy)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 362.27 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-ethylphenoxy)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 988892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).