2-(4-bromo-2-methylphenoxy)-N-(3-chlorophenyl)acetamide

C15H13BrClNO2 — CID 3483118

IUPAC2-(4-bromo-2-methylphenoxy)-N-(3-chlorophenyl)acetamide
SMILESCc1cc(Br)ccc1OCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H13BrClNO2/c1-10-7-11(16)5-6-14(10)20-9-15(19)18-13-4-2-3-12(17)8-13/h2-8H,9H2,1H3,(H,18,19)
InChIKeyUPRRQIWTKYLVRH-UHFFFAOYSA-N
MW354.63 g/mol
LogP4.43
Rot. Bonds4

About 2-(4-bromo-2-methylphenoxy)-N-(3-chlorophenyl)acetamide

2-(4-bromo-2-methylphenoxy)-N-(3-chlorophenyl)acetamide (PubChem CID 3483118) has the molecular formula C15H13BrClNO2 and a molecular weight of 354.63 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenoxy)-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenoxy)-N-(3-chlorophenyl)acetamide
PubChem CID3483118
Molecular FormulaC15H13BrClNO2
Molecular Weight354.63 g/mol
Exact Mass352.98
IUPAC Name2-(4-bromo-2-methylphenoxy)-N-(3-chlorophenyl)acetamide
SMILESCc1cc(Br)ccc1OCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H13BrClNO2/c1-10-7-11(16)5-6-14(10)20-9-15(19)18-13-4-2-3-12(17)8-13/h2-8H,9H2,1H3,(H,18,19)
InChIKeyUPRRQIWTKYLVRH-UHFFFAOYSA-N
XLogP4.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.63
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetylphenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1013855
2-(2-chloro-4-methylphenoxy)-N-(3-chlorophenyl)acetamide
CID 161150821
N-(3-bromophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 876443
2-(4-bromo-2-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 695854
N-(4-anilinophenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1013861
2-(4-bromo-2-methylphenoxy)-N-(3-propoxyphenyl)acetamide
CID 17096701
2-(4-bromo-2-methylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 17169811
2-(2-bromo-4-chlorophenoxy)-N-(3-bromophenyl)acetamide
CID 19202088
2-(4-bromo-2-methylphenoxy)-N-(3-phenylmethoxyphenyl)acetamide
CID 17086029
N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 19177306
2-(4-chloro-2-methylphenoxy)-N-(3,5-dibromo-4-hydroxyphenyl)acetamide
CID 5119772
2-(4-bromo-2-methylphenoxy)-N-[4-[[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]phenyl]methyl]phenyl]acetamide
CID 5180817

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenoxy)-N-(3-chlorophenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-methylphenoxy)-N-(3-chlorophenyl)acetamide (CID 3483118) is 2-(4-bromo-2-methylphenoxy)-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-methylphenoxy)-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-methylphenoxy)-N-(3-chlorophenyl)acetamide is Cc1cc(Br)ccc1OCC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 2-(4-bromo-2-methylphenoxy)-N-(3-chlorophenyl)acetamide?
The InChIKey is UPRRQIWTKYLVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO2/c1-10-7-11(16)5-6-14(10)20-9-15(19)18-13-4-2-3-12(17)8-13/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 2-(4-bromo-2-methylphenoxy)-N-(3-chlorophenyl)acetamide?
2-(4-bromo-2-methylphenoxy)-N-(3-chlorophenyl)acetamide has a molecular weight of 354.63 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenoxy)-N-(3-chlorophenyl)acetamide is sourced from PubChem (CID 3483118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).