N-(4-bromo-2,6-dimethylphenyl)-2-(3,5-dimethylphenoxy)acetamide

C18H20BrNO2 — CID 1326101

IUPACN-(4-bromo-2,6-dimethylphenyl)-2-(3,5-dimethylphenoxy)acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2c(C)cc(Br)cc2C)c1
InChIInChI=1S/C18H20BrNO2/c1-11-5-12(2)7-16(6-11)22-10-17(21)20-18-13(3)8-15(19)9-14(18)4/h5-9H,10H2,1-4H3,(H,20,21)
InChIKeyFFLCBMPMPHQEFS-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.70
Rot. Bonds4

About N-(4-bromo-2,6-dimethylphenyl)-2-(3,5-dimethylphenoxy)acetamide

N-(4-bromo-2,6-dimethylphenyl)-2-(3,5-dimethylphenoxy)acetamide (PubChem CID 1326101) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-2-(3,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-2-(3,5-dimethylphenoxy)acetamide
PubChem CID1326101
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-2-(3,5-dimethylphenoxy)acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2c(C)cc(Br)cc2C)c1
InChIInChI=1S/C18H20BrNO2/c1-11-5-12(2)7-16(6-11)22-10-17(21)20-18-13(3)8-15(19)9-14(18)4/h5-9H,10H2,1-4H3,(H,20,21)
InChIKeyFFLCBMPMPHQEFS-UHFFFAOYSA-N
XLogP4.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2,6-dimethylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 2294565
2-(4-chloro-3,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 873694
N-(4-bromo-2,6-dimethylphenyl)-2-methoxyacetamide
CID 60794685
2-(4-bromo-2,6-dimethylphenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 1191397
N-(4-amino-2,6-dimethylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 50880984
N-(2,6-difluorophenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 21368263
2-(3,5-dimethylphenoxy)-N-(2-ethyl-6-methylphenyl)acetamide
CID 769435
N-(4-bromo-2,6-dimethylphenyl)-2-(2-methoxyethoxy)acetamide
CID 113224139
2-(4-tert-butylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 720094
N-(2-amino-4-bromo-6-methylphenyl)-2-(4-chlorophenoxy)acetamide
CID 43550009
2-(3,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 679981
4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamide
CID 7931575

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-(3,5-dimethylphenoxy)acetamide?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-(3,5-dimethylphenoxy)acetamide (CID 1326101) is N-(4-bromo-2,6-dimethylphenyl)-2-(3,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-2-(3,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-2-(3,5-dimethylphenoxy)acetamide is Cc1cc(C)cc(OCC(=O)Nc2c(C)cc(Br)cc2C)c1.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-2-(3,5-dimethylphenoxy)acetamide?
The InChIKey is FFLCBMPMPHQEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-11-5-12(2)7-16(6-11)22-10-17(21)20-18-13(3)8-15(19)9-14(18)4/h5-9H,10H2,1-4H3,(H,20,21).
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-2-(3,5-dimethylphenoxy)acetamide?
N-(4-bromo-2,6-dimethylphenyl)-2-(3,5-dimethylphenoxy)acetamide has a molecular weight of 362.27 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dimethylphenyl)-2-(3,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 1326101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).