2-[2-[(2,4-dichlorophenoxy)methyl]phenyl]-2-methoxy-N-methylacetamide

C17H17Cl2NO3 — CID 101177998

IUPAC2-[2-[(2,4-dichlorophenoxy)methyl]phenyl]-2-methoxy-N-methylacetamide
SMILESCNC(=O)C(OC)c1ccccc1COc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H17Cl2NO3/c1-20-17(21)16(22-2)13-6-4-3-5-11(13)10-23-15-8-7-12(18)9-14(15)19/h3-9,16H,10H2,1-2H3,(H,20,21)
InChIKeySYWIEXLTWSYABT-UHFFFAOYSA-N
MW354.23 g/mol
LogP4.01
Rot. Bonds6

About 2-[2-[(2,4-dichlorophenoxy)methyl]phenyl]-2-methoxy-N-methylacetamide

2-[2-[(2,4-dichlorophenoxy)methyl]phenyl]-2-methoxy-N-methylacetamide (PubChem CID 101177998) has the molecular formula C17H17Cl2NO3 and a molecular weight of 354.23 g/mol. Its IUPAC name is 2-[2-[(2,4-dichlorophenoxy)methyl]phenyl]-2-methoxy-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[(2,4-dichlorophenoxy)methyl]phenyl]-2-methoxy-N-methylacetamide
PubChem CID101177998
Molecular FormulaC17H17Cl2NO3
Molecular Weight354.23 g/mol
Exact Mass353.06
IUPAC Name2-[2-[(2,4-dichlorophenoxy)methyl]phenyl]-2-methoxy-N-methylacetamide
SMILESCNC(=O)C(OC)c1ccccc1COc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H17Cl2NO3/c1-20-17(21)16(22-2)13-6-4-3-5-11(13)10-23-15-8-7-12(18)9-14(15)19/h3-9,16H,10H2,1-2H3,(H,20,21)
InChIKeySYWIEXLTWSYABT-UHFFFAOYSA-N
XLogP4.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-methyl-2-[2-[[2,4,5-tris(methylamino)phenoxy]methyl]phenyl]acetamide
CID 174772151
methyl 2-[2-[(3,5-dichlorophenoxy)methyl]phenyl]-2-methoxyacetate
CID 101177991
methyl 2-[2-[(4-chlorophenoxy)methyl]phenyl]-2-methoxyacetate
CID 101177986
2-[2-[2-[(2,5-dimethylphenoxy)methyl]phenoxy]phenyl]-2-methoxy-N-methylacetamide
CID 175139513
1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-methoxypropan-2-one
CID 123161205
2-[2-[(2,4-dichlorophenoxy)methyl]phenyl]ethanamine
CID 115464873
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 7859030
methyl 3-bromo-4-[(2,4-dichlorophenoxy)methyl]benzoate
CID 102765334
2-[[2-(2,4-dichlorophenoxy)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-methylpropanamide
CID 132676547
(1R)-1-[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanol
CID 63364799
2-(2,4-dichlorophenoxy)-N'-[2-(2,4-dichlorophenoxy)acetyl]propanehydrazide
CID 3120230
methyl 3-(2,4-dichlorophenoxy)-2-phenoxypropanoate
CID 70632599

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,4-dichlorophenoxy)methyl]phenyl]-2-methoxy-N-methylacetamide?
The IUPAC name of 2-[2-[(2,4-dichlorophenoxy)methyl]phenyl]-2-methoxy-N-methylacetamide (CID 101177998) is 2-[2-[(2,4-dichlorophenoxy)methyl]phenyl]-2-methoxy-N-methylacetamide.
What is the SMILES notation for 2-[2-[(2,4-dichlorophenoxy)methyl]phenyl]-2-methoxy-N-methylacetamide?
The canonical SMILES for 2-[2-[(2,4-dichlorophenoxy)methyl]phenyl]-2-methoxy-N-methylacetamide is CNC(=O)C(OC)c1ccccc1COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[2-[(2,4-dichlorophenoxy)methyl]phenyl]-2-methoxy-N-methylacetamide?
The InChIKey is SYWIEXLTWSYABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO3/c1-20-17(21)16(22-2)13-6-4-3-5-11(13)10-23-15-8-7-12(18)9-14(15)19/h3-9,16H,10H2,1-2H3,(H,20,21).
What are the key properties of 2-[2-[(2,4-dichlorophenoxy)methyl]phenyl]-2-methoxy-N-methylacetamide?
2-[2-[(2,4-dichlorophenoxy)methyl]phenyl]-2-methoxy-N-methylacetamide has a molecular weight of 354.23 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,4-dichlorophenoxy)methyl]phenyl]-2-methoxy-N-methylacetamide is sourced from PubChem (CID 101177998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).