2-(4-bromo-2,3,5-trimethylphenoxy)-N-[(4-chlorophenyl)methyl]acetamide

C18H19BrClNO2 — CID 5039239

IUPAC2-(4-bromo-2,3,5-trimethylphenoxy)-N-[(4-chlorophenyl)methyl]acetamide
SMILESCc1cc(OCC(=O)NCc2ccc(Cl)cc2)c(C)c(C)c1Br
InChIInChI=1S/C18H19BrClNO2/c1-11-8-16(12(2)13(3)18(11)19)23-10-17(22)21-9-14-4-6-15(20)7-5-14/h4-8H,9-10H2,1-3H3,(H,21,22)
InChIKeyHWMFGHSYAAJFOC-UHFFFAOYSA-N
MW396.71 g/mol
LogP4.72
Rot. Bonds5

About 2-(4-bromo-2,3,5-trimethylphenoxy)-N-[(4-chlorophenyl)methyl]acetamide

2-(4-bromo-2,3,5-trimethylphenoxy)-N-[(4-chlorophenyl)methyl]acetamide (PubChem CID 5039239) has the molecular formula C18H19BrClNO2 and a molecular weight of 396.71 g/mol. Its IUPAC name is 2-(4-bromo-2,3,5-trimethylphenoxy)-N-[(4-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2,3,5-trimethylphenoxy)-N-[(4-chlorophenyl)methyl]acetamide
PubChem CID5039239
Molecular FormulaC18H19BrClNO2
Molecular Weight396.71 g/mol
Exact Mass395.03
IUPAC Name2-(4-bromo-2,3,5-trimethylphenoxy)-N-[(4-chlorophenyl)methyl]acetamide
SMILESCc1cc(OCC(=O)NCc2ccc(Cl)cc2)c(C)c(C)c1Br
InChIInChI=1S/C18H19BrClNO2/c1-11-8-16(12(2)13(3)18(11)19)23-10-17(22)21-9-14-4-6-15(20)7-5-14/h4-8H,9-10H2,1-3H3,(H,21,22)
InChIKeyHWMFGHSYAAJFOC-UHFFFAOYSA-N
XLogP4.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.71
LogP ≤ 54.72
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-(4-bromo-2,3,5-trimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 5201161
2-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 3624933
N-[(4-chlorophenyl)methyl]-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
CID 7686438
(3Z)-N-[(4-chlorophenyl)methyl]-3-[[2-(2,4-dibromo-5-methylphenoxy)acetyl]hydrazinylidene]butanamide
CID 6156343
N-[2-(4-chlorophenyl)ethyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978044
2-(2-bromo-4-chlorophenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 1287444
2-(4-bromo-2,3,5-trimethylphenoxy)-N-(2-fluorophenyl)acetamide
CID 4650894
2-(6-bromonaphthalen-2-yl)oxy-N-[(4-chlorophenyl)methyl]acetamide
CID 7786789
2-(4-bromo-2,3,5-trimethylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide
CID 4268508
2-(2-acetyl-4-fluorophenoxy)-N-[(4-chlorophenyl)methyl]acetamide
CID 17401947
N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 809048

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,3,5-trimethylphenoxy)-N-[(4-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-(4-bromo-2,3,5-trimethylphenoxy)-N-[(4-chlorophenyl)methyl]acetamide (CID 5039239) is 2-(4-bromo-2,3,5-trimethylphenoxy)-N-[(4-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2,3,5-trimethylphenoxy)-N-[(4-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(4-bromo-2,3,5-trimethylphenoxy)-N-[(4-chlorophenyl)methyl]acetamide is Cc1cc(OCC(=O)NCc2ccc(Cl)cc2)c(C)c(C)c1Br.
What is the InChIKey of 2-(4-bromo-2,3,5-trimethylphenoxy)-N-[(4-chlorophenyl)methyl]acetamide?
The InChIKey is HWMFGHSYAAJFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClNO2/c1-11-8-16(12(2)13(3)18(11)19)23-10-17(22)21-9-14-4-6-15(20)7-5-14/h4-8H,9-10H2,1-3H3,(H,21,22).
What are the key properties of 2-(4-bromo-2,3,5-trimethylphenoxy)-N-[(4-chlorophenyl)methyl]acetamide?
2-(4-bromo-2,3,5-trimethylphenoxy)-N-[(4-chlorophenyl)methyl]acetamide has a molecular weight of 396.71 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,3,5-trimethylphenoxy)-N-[(4-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 5039239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).