3-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-methylbenzamide

C16H14Cl2N2O3 — CID 8578482

IUPAC3-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)COc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C16H14Cl2N2O3/c1-19-16(22)10-3-2-4-12(7-10)20-15(21)9-23-14-8-11(17)5-6-13(14)18/h2-8H,9H2,1H3,(H,19,22)(H,20,21)
InChIKeyZTFLHXTZESRFQL-UHFFFAOYSA-N
MW353.21 g/mol
LogP3.37
Rot. Bonds5

About 3-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-methylbenzamide

3-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-methylbenzamide (PubChem CID 8578482) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is 3-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-methylbenzamide
PubChem CID8578482
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC Name3-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)COc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C16H14Cl2N2O3/c1-19-16(22)10-3-2-4-12(7-10)20-15(21)9-23-14-8-11(17)5-6-13(14)18/h2-8H,9H2,1H3,(H,19,22)(H,20,21)
InChIKeyZTFLHXTZESRFQL-UHFFFAOYSA-N
XLogP3.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-methylbenzamide
CID 9196891
2-(2,5-dichlorophenoxy)-N-[3-(hydroxymethyl)phenyl]acetamide
CID 60703773
2-(2,5-dichlorophenoxy)-N-[4-(methylcarbamoylamino)phenyl]acetamide
CID 46518487
3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 11839533
3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164499
2-(2,5-dichlorophenoxy)-N-(3-sulfamoylphenyl)acetamide
CID 7185045
N-(4-acetylphenyl)-2-(2,5-dichlorophenoxy)acetamide
CID 724281
N-[3-[[2-(2,5-dichlorophenoxy)acetyl]amino]phenyl]furan-2-carboxamide
CID 24647647
3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(2-hydroxyethyl)benzamide
CID 24811987
2-(2,5-dichlorophenoxy)-N-(3,4-difluorophenyl)acetamide
CID 7185406
3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide
CID 25431218
4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-methylbenzamide
CID 8807740

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-methylbenzamide (CID 8578482) is 3-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-methylbenzamide is CNC(=O)c1cccc(NC(=O)COc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 3-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-methylbenzamide?
The InChIKey is ZTFLHXTZESRFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c1-19-16(22)10-3-2-4-12(7-10)20-15(21)9-23-14-8-11(17)5-6-13(14)18/h2-8H,9H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 3-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-methylbenzamide?
3-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-methylbenzamide has a molecular weight of 353.21 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 8578482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).