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

C17H17BrClNO2 — CID 7233561

IUPAC2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)COc2c(C)cc(Br)cc2Cl)c1
InChIInChI=1S/C17H17BrClNO2/c1-10-4-11(2)6-14(5-10)20-16(21)9-22-17-12(3)7-13(18)8-15(17)19/h4-8H,9H2,1-3H3,(H,20,21)
InChIKeyKDWWOIVZQLVRQP-UHFFFAOYSA-N
MW382.69 g/mol
LogP5.05
Rot. Bonds4

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

2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide (PubChem CID 7233561) has the molecular formula C17H17BrClNO2 and a molecular weight of 382.69 g/mol. Its IUPAC name is 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
PubChem CID7233561
Molecular FormulaC17H17BrClNO2
Molecular Weight382.69 g/mol
Exact Mass381.01
IUPAC Name2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)COc2c(C)cc(Br)cc2Cl)c1
InChIInChI=1S/C17H17BrClNO2/c1-10-4-11(2)6-14(5-10)20-16(21)9-22-17-12(3)7-13(18)8-15(17)19/h4-8H,9H2,1-3H3,(H,20,21)
InChIKeyKDWWOIVZQLVRQP-UHFFFAOYSA-N
XLogP5.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.69
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichloro-6-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 1121099
N-(3-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide
CID 2610777
2-(4-bromo-2,6-dimethylphenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 1191397
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 7290642
2-(4-bromo-2-chloro-6-methylphenoxy)-N-[4-(cyanomethyl)phenyl]acetamide
CID 7629417
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2620897
2-(4-bromo-2-chloro-6-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 25333210
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 4813283
N-(2-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide
CID 7233534
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 7715455
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 7233584
2-(4-bromo-2-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 695854

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide (CID 7233561) is 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide is Cc1cc(C)cc(NC(=O)COc2c(C)cc(Br)cc2Cl)c1.
What is the InChIKey of 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is KDWWOIVZQLVRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO2/c1-10-4-11(2)6-14(5-10)20-16(21)9-22-17-12(3)7-13(18)8-15(17)19/h4-8H,9H2,1-3H3,(H,20,21).
What are the key properties of 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide?
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 382.69 g/mol, XLogP of 5.05, 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-chloro-6-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 7233561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).