N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-2-phenylacetamide

C22H18Cl2N2O3 — CID 3372417

IUPACN-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-2-phenylacetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1ccc(NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C22H18Cl2N2O3/c23-16-6-11-20(19(24)13-16)29-14-22(28)26-18-9-7-17(8-10-18)25-21(27)12-15-4-2-1-3-5-15/h1-11,13H,12,14H2,(H,25,27)(H,26,28)
InChIKeyXFUPTBRSIIOCOI-UHFFFAOYSA-N
MW429.30 g/mol
LogP5.19
Rot. Bonds7

About N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-2-phenylacetamide

N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-2-phenylacetamide (PubChem CID 3372417) has the molecular formula C22H18Cl2N2O3 and a molecular weight of 429.30 g/mol. Its IUPAC name is N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-2-phenylacetamide
PubChem CID3372417
Molecular FormulaC22H18Cl2N2O3
Molecular Weight429.30 g/mol
Exact Mass428.07
IUPAC NameN-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-2-phenylacetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1ccc(NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C22H18Cl2N2O3/c23-16-6-11-20(19(24)13-16)29-14-22(28)26-18-9-7-17(8-10-18)25-21(27)12-15-4-2-1-3-5-15/h1-11,13H,12,14H2,(H,25,27)(H,26,28)
InChIKeyXFUPTBRSIIOCOI-UHFFFAOYSA-N
XLogP5.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.30
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 1039828
2-(2,4-dichlorophenoxy)-N-(4-hydroxyphenyl)acetamide
CID 976414
2-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-N-propan-2-ylacetamide
CID 39680657
2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 723348
2-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]acetic acid
CID 166178801
4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzenesulfonyl chloride
CID 13315417
N-(2-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 744320
2-(2,4-dichlorophenoxy)-N-(phenylcarbamothioyl)acetamide
CID 4630939
N-[4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]phenyl]benzamide
CID 3293473
2-(2-benzylphenoxy)-N-(4-chlorophenyl)acetamide
CID 7900618
2-(2,4-dichlorophenoxy)-N-[2-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]phenyl]acetamide
CID 2198238
2-[2-(2-aminoethyl)-4-chlorophenoxy]-N-phenylacetamide
CID 60906318

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-2-phenylacetamide?
The IUPAC name of N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-2-phenylacetamide (CID 3372417) is N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-2-phenylacetamide is O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(NC(=O)Cc2ccccc2)cc1.
What is the InChIKey of N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-2-phenylacetamide?
The InChIKey is XFUPTBRSIIOCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O3/c23-16-6-11-20(19(24)13-16)29-14-22(28)26-18-9-7-17(8-10-18)25-21(27)12-15-4-2-1-3-5-15/h1-11,13H,12,14H2,(H,25,27)(H,26,28).
What are the key properties of N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-2-phenylacetamide?
N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-2-phenylacetamide has a molecular weight of 429.30 g/mol, XLogP of 5.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-2-phenylacetamide is sourced from PubChem (CID 3372417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).