3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-methylbenzamide

C16H14Cl2N2O3 — CID 9196891

IUPAC3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)COc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H14Cl2N2O3/c1-19-16(22)10-3-2-4-11(7-10)20-15(21)9-23-12-5-6-13(17)14(18)8-12/h2-8H,9H2,1H3,(H,19,22)(H,20,21)
InChIKeyAHCOZNHJAUBNOP-UHFFFAOYSA-N
MW353.21 g/mol
LogP3.37
Rot. Bonds5

About 3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-methylbenzamide

3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-methylbenzamide (PubChem CID 9196891) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is 3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-methylbenzamide
PubChem CID9196891
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC Name3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)COc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H14Cl2N2O3/c1-19-16(22)10-3-2-4-11(7-10)20-15(21)9-23-12-5-6-13(17)14(18)8-12/h2-8H,9H2,1H3,(H,19,22)(H,20,21)
InChIKeyAHCOZNHJAUBNOP-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-(2,5-dichlorophenoxy)acetyl]amino]-N-methylbenzamide
CID 8578482
3-[[2-(3-ethylphenoxy)acetyl]amino]-N-methylbenzamide
CID 31524865
N-methyl-3-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]benzamide
CID 17233162
3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(4-fluorophenyl)benzamide
CID 26158805
2-(4-acetamidophenoxy)-N-(3,4-dichlorophenyl)acetamide
CID 1296256
3-[[2-(4-chlorophenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 17197376
N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]furan-2-carboxamide
CID 37026412
3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 17194482
4-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2092735
2-(3,4-dichlorophenoxy)-N-(3,5-dimethoxyphenyl)acetamide
CID 2706581
N-(2-chlorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide
CID 4199115
3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 9229534

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-methylbenzamide (CID 9196891) is 3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-methylbenzamide is CNC(=O)c1cccc(NC(=O)COc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-methylbenzamide?
The InChIKey is AHCOZNHJAUBNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c1-19-16(22)10-3-2-4-11(7-10)20-15(21)9-23-12-5-6-13(17)14(18)8-12/h2-8H,9H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-methylbenzamide?
3-[[2-(3,4-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-(3,4-dichlorophenoxy)acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 9196891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).