2-(3-acetylphenoxy)-N-[(2,3-dichlorophenyl)methyl]-N-methylacetamide

C18H17Cl2NO3 — CID 55328875

IUPAC2-(3-acetylphenoxy)-N-[(2,3-dichlorophenyl)methyl]-N-methylacetamide
SMILESCC(=O)c1cccc(OCC(=O)N(C)Cc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C18H17Cl2NO3/c1-12(22)13-5-3-7-15(9-13)24-11-17(23)21(2)10-14-6-4-8-16(19)18(14)20/h3-9H,10-11H2,1-2H3
InChIKeyPYLXGCCPDWREHP-UHFFFAOYSA-N
MW366.24 g/mol
LogP4.23
Rot. Bonds6

About 2-(3-acetylphenoxy)-N-[(2,3-dichlorophenyl)methyl]-N-methylacetamide

2-(3-acetylphenoxy)-N-[(2,3-dichlorophenyl)methyl]-N-methylacetamide (PubChem CID 55328875) has the molecular formula C18H17Cl2NO3 and a molecular weight of 366.24 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-N-[(2,3-dichlorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-N-[(2,3-dichlorophenyl)methyl]-N-methylacetamide
PubChem CID55328875
Molecular FormulaC18H17Cl2NO3
Molecular Weight366.24 g/mol
Exact Mass365.06
IUPAC Name2-(3-acetylphenoxy)-N-[(2,3-dichlorophenyl)methyl]-N-methylacetamide
SMILESCC(=O)c1cccc(OCC(=O)N(C)Cc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C18H17Cl2NO3/c1-12(22)13-5-3-7-15(9-13)24-11-17(23)21(2)10-14-6-4-8-16(19)18(14)20/h3-9H,10-11H2,1-2H3
InChIKeyPYLXGCCPDWREHP-UHFFFAOYSA-N
XLogP4.23
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-naphthalen-2-yloxyacetamide
CID 7930348
2-(3-acetylphenoxy)-N-[(2-chloro-5-nitrophenyl)methyl]-N-methylacetamide
CID 86912235
N-[(2-chlorophenyl)methyl]-N-methyl-2-(3-methylphenoxy)acetamide
CID 112790388
2-(3-acetylphenoxy)-N-(1,3-benzodioxol-5-ylmethyl)-N-methylacetamide
CID 32544144
2-(3-acetylphenoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 112791758
2-(4-acetyl-2-methoxyphenoxy)-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 26731799
[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate
CID 8735586
N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60628158
(2,3-dichlorophenyl)methyl-methylcarbamic acid
CID 23189896
2-(3-acetylphenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 134017563
2-(3-acetylphenoxy)-N,N-bis(2-methylpropyl)acetamide
CID 78765430
2-(3-fluorophenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 78768927

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-N-[(2,3-dichlorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(3-acetylphenoxy)-N-[(2,3-dichlorophenyl)methyl]-N-methylacetamide (CID 55328875) is 2-(3-acetylphenoxy)-N-[(2,3-dichlorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(3-acetylphenoxy)-N-[(2,3-dichlorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(3-acetylphenoxy)-N-[(2,3-dichlorophenyl)methyl]-N-methylacetamide is CC(=O)c1cccc(OCC(=O)N(C)Cc2cccc(Cl)c2Cl)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-N-[(2,3-dichlorophenyl)methyl]-N-methylacetamide?
The InChIKey is PYLXGCCPDWREHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO3/c1-12(22)13-5-3-7-15(9-13)24-11-17(23)21(2)10-14-6-4-8-16(19)18(14)20/h3-9H,10-11H2,1-2H3.
What are the key properties of 2-(3-acetylphenoxy)-N-[(2,3-dichlorophenyl)methyl]-N-methylacetamide?
2-(3-acetylphenoxy)-N-[(2,3-dichlorophenyl)methyl]-N-methylacetamide has a molecular weight of 366.24 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-N-[(2,3-dichlorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 55328875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).