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

C23H20Cl2N2O3 — CID 4937312

IUPACN-benzyl-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H20Cl2N2O3/c1-27(14-16-7-3-2-4-8-16)23(29)18-9-5-6-10-20(18)26-22(28)15-30-21-12-11-17(24)13-19(21)25/h2-13H,14-15H2,1H3,(H,26,28)
InChIKeyAZCAXYZFIJZCNL-UHFFFAOYSA-N
MW443.33 g/mol
LogP5.28
Rot. Bonds7

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

N-benzyl-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-methylbenzamide (PubChem CID 4937312) has the molecular formula C23H20Cl2N2O3 and a molecular weight of 443.33 g/mol. Its IUPAC name is N-benzyl-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-methylbenzamide
PubChem CID4937312
Molecular FormulaC23H20Cl2N2O3
Molecular Weight443.33 g/mol
Exact Mass442.09
IUPAC NameN-benzyl-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H20Cl2N2O3/c1-27(14-16-7-3-2-4-8-16)23(29)18-9-5-6-10-20(18)26-22(28)15-30-21-12-11-17(24)13-19(21)25/h2-13H,14-15H2,1H3,(H,26,28)
InChIKeyAZCAXYZFIJZCNL-UHFFFAOYSA-N
XLogP5.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.33
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[4-(2,4-dichlorophenoxy)butanoylcarbamothioylamino]-N-methylbenzamide
CID 4937559
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17186619
N-benzyl-2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide
CID 4937395
N-benzyl-2-[(2-methoxyacetyl)amino]-N-methylbenzamide
CID 17311924
N-(2-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 744320
2-(2,4-dichlorophenoxy)-N-[2-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]phenyl]acetamide
CID 2198238
2-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]acetic acid
CID 166178801
N-[2-[acetyl(methyl)amino]phenyl]-2-(2,4-dichlorophenoxy)acetamide
CID 113093774
2-(2,4-dichlorophenoxy)-N-[2-(ethoxymethyl)phenyl]acetamide
CID 86821663
N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 3544695
N-cyclopropyl-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzamide
CID 7729391
methyl 2-[[2-[2-(2,4-dichlorophenoxy)phenoxy]acetyl]amino]benzoate
CID 57406612

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-methylbenzamide?
The IUPAC name of N-benzyl-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-methylbenzamide (CID 4937312) is N-benzyl-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for N-benzyl-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-methylbenzamide?
The canonical SMILES for N-benzyl-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-methylbenzamide is CN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of N-benzyl-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-methylbenzamide?
The InChIKey is AZCAXYZFIJZCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O3/c1-27(14-16-7-3-2-4-8-16)23(29)18-9-5-6-10-20(18)26-22(28)15-30-21-12-11-17(24)13-19(21)25/h2-13H,14-15H2,1H3,(H,26,28).
What are the key properties of N-benzyl-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-methylbenzamide?
N-benzyl-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-methylbenzamide has a molecular weight of 443.33 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 4937312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).