N-(3-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide

C17H15BrClNO3 — CID 2610777

IUPACN-(3-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide
SMILESCC(=O)c1cccc(NC(=O)COc2c(C)cc(Br)cc2Cl)c1
InChIInChI=1S/C17H15BrClNO3/c1-10-6-13(18)8-15(19)17(10)23-9-16(22)20-14-5-3-4-12(7-14)11(2)21/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeyVCEJNURNUNOMLH-UHFFFAOYSA-N
MW396.67 g/mol
LogP4.63
Rot. Bonds5

About N-(3-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide

N-(3-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide (PubChem CID 2610777) has the molecular formula C17H15BrClNO3 and a molecular weight of 396.67 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide
PubChem CID2610777
Molecular FormulaC17H15BrClNO3
Molecular Weight396.67 g/mol
Exact Mass394.99
IUPAC NameN-(3-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide
SMILESCC(=O)c1cccc(NC(=O)COc2c(C)cc(Br)cc2Cl)c1
InChIInChI=1S/C17H15BrClNO3/c1-10-6-13(18)8-15(19)17(10)23-9-16(22)20-14-5-3-4-12(7-14)11(2)21/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeyVCEJNURNUNOMLH-UHFFFAOYSA-N
XLogP4.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.67
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 7290642
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 7233561
N-(3-acetylphenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1013855
N-(2-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide
CID 7233534
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-bromo-2-chloro-6-methylphenoxy)acetate
CID 41059684
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 7233584
2-(4-bromo-2-chloro-6-methylphenoxy)-N-[4-(cyanomethyl)phenyl]acetamide
CID 7629417
2-(4-bromo-2,6-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 17197570
2-chloro-N-[3-[[2-(2-chloro-4,6-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 3877756
N-(3-bromophenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19178145
[2-(3-acetylanilino)-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 7950588
N-(3-acetylphenyl)-2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)acetamide
CID 18276979

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide (CID 2610777) is N-(3-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide is CC(=O)c1cccc(NC(=O)COc2c(C)cc(Br)cc2Cl)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide?
The InChIKey is VCEJNURNUNOMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClNO3/c1-10-6-13(18)8-15(19)17(10)23-9-16(22)20-14-5-3-4-12(7-14)11(2)21/h3-8H,9H2,1-2H3,(H,20,22).
What are the key properties of N-(3-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide?
N-(3-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide has a molecular weight of 396.67 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide is sourced from PubChem (CID 2610777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).