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

C17H15BrClNO3 — CID 7233534

IUPACN-(2-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide
SMILESCC(=O)c1ccccc1NC(=O)COc1c(C)cc(Br)cc1Cl
InChIInChI=1S/C17H15BrClNO3/c1-10-7-12(18)8-14(19)17(10)23-9-16(22)20-15-6-4-3-5-13(15)11(2)21/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeyCICDNLOWMCNBGN-UHFFFAOYSA-N
MW396.67 g/mol
LogP4.63
Rot. Bonds5

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

N-(2-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide (PubChem CID 7233534) has the molecular formula C17H15BrClNO3 and a molecular weight of 396.67 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide
PubChem CID7233534
Molecular FormulaC17H15BrClNO3
Molecular Weight396.67 g/mol
Exact Mass394.99
IUPAC NameN-(2-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide
SMILESCC(=O)c1ccccc1NC(=O)COc1c(C)cc(Br)cc1Cl
InChIInChI=1S/C17H15BrClNO3/c1-10-7-12(18)8-14(19)17(10)23-9-16(22)20-15-6-4-3-5-13(15)11(2)21/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeyCICDNLOWMCNBGN-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

N-(3-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide
CID 2610777
2-(4-bromo-2-chloro-6-methylphenoxy)-1-(2-methylphenyl)ethanone
CID 63567782
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 7233561
N-(2-bromophenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3249849
N-(2-acetylphenyl)-2-(2-chlorophenoxy)acetamide
CID 2707164
N-(4-anilinophenyl)-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide
CID 4942018
4-[2-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
CID 3341674
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 7290642
2-(2-chloro-4,6-dimethylphenoxy)-N-(2-ethoxyphenyl)acetamide
CID 23790866
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-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2620897
N-butan-2-yl-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide
CID 17151209

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide?
The IUPAC name of N-(2-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide (CID 7233534) is N-(2-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide.
What is the SMILES notation for N-(2-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide?
The canonical SMILES for N-(2-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide is CC(=O)c1ccccc1NC(=O)COc1c(C)cc(Br)cc1Cl.
What is the InChIKey of N-(2-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide?
The InChIKey is CICDNLOWMCNBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClNO3/c1-10-7-12(18)8-14(19)17(10)23-9-16(22)20-15-6-4-3-5-13(15)11(2)21/h3-8H,9H2,1-2H3,(H,20,22).
What are the key properties of N-(2-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide?
N-(2-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-(2-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide is sourced from PubChem (CID 7233534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).