2-(4-bromo-2-ethylphenoxy)-N-(3,5-dimethylphenyl)acetamide

C18H20BrNO2 — CID 19201533

IUPAC2-(4-bromo-2-ethylphenoxy)-N-(3,5-dimethylphenyl)acetamide
SMILESCCc1cc(Br)ccc1OCC(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C18H20BrNO2/c1-4-14-10-15(19)5-6-17(14)22-11-18(21)20-16-8-12(2)7-13(3)9-16/h5-10H,4,11H2,1-3H3,(H,20,21)
InChIKeyCFRKIGVFVVOAKM-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.65
Rot. Bonds5

About 2-(4-bromo-2-ethylphenoxy)-N-(3,5-dimethylphenyl)acetamide

2-(4-bromo-2-ethylphenoxy)-N-(3,5-dimethylphenyl)acetamide (PubChem CID 19201533) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 2-(4-bromo-2-ethylphenoxy)-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-ethylphenoxy)-N-(3,5-dimethylphenyl)acetamide
PubChem CID19201533
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC Name2-(4-bromo-2-ethylphenoxy)-N-(3,5-dimethylphenyl)acetamide
SMILESCCc1cc(Br)ccc1OCC(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C18H20BrNO2/c1-4-14-10-15(19)5-6-17(14)22-11-18(21)20-16-8-12(2)7-13(3)9-16/h5-10H,4,11H2,1-3H3,(H,20,21)
InChIKeyCFRKIGVFVVOAKM-UHFFFAOYSA-N
XLogP4.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 695854
2-(4-bromo-2-propan-2-ylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 17188857
2-(4-bromo-2-ethylphenoxy)-N-(3-nitrophenyl)acetamide
CID 19202439
2-(6-bromonaphthalen-2-yl)oxy-N-(3,5-dimethylphenyl)acetamide
CID 7786804
2-methylpropyl 4-[[2-(4-bromo-2-ethylphenoxy)acetyl]amino]benzoate
CID 19201826
1-(4-bromo-2-ethylphenoxy)propan-2-one
CID 58963157
2-(4-bromo-2-ethylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 19202117
2-(4-bromo-2-ethylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide
CID 19202492
2-(4-bromo-2-ethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 19201614
2-(2,4-dibromophenoxy)-N-[(3,5-dimethylphenyl)carbamothioyl]acetamide
CID 3313169
2-(4-bromo-2-ethylphenoxy)-N-cyclododecylacetamide
CID 19201445
ethyl 4-[[2-(4-bromo-2-ethylphenoxy)acetyl]amino]-5-chloro-2-methoxybenzoate
CID 19228737

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-ethylphenoxy)-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-ethylphenoxy)-N-(3,5-dimethylphenyl)acetamide (CID 19201533) is 2-(4-bromo-2-ethylphenoxy)-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-ethylphenoxy)-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-ethylphenoxy)-N-(3,5-dimethylphenyl)acetamide is CCc1cc(Br)ccc1OCC(=O)Nc1cc(C)cc(C)c1.
What is the InChIKey of 2-(4-bromo-2-ethylphenoxy)-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is CFRKIGVFVVOAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-4-14-10-15(19)5-6-17(14)22-11-18(21)20-16-8-12(2)7-13(3)9-16/h5-10H,4,11H2,1-3H3,(H,20,21).
What are the key properties of 2-(4-bromo-2-ethylphenoxy)-N-(3,5-dimethylphenyl)acetamide?
2-(4-bromo-2-ethylphenoxy)-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 362.27 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-ethylphenoxy)-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 19201533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).