2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-[4-(dimethylamino)phenyl]acetamide

C18H19Cl2N3O3 — CID 110615374

IUPAC2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-[4-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1ccc(NC(=O)CNC(=O)COc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C18H19Cl2N3O3/c1-23(2)14-6-4-13(5-7-14)22-17(24)10-21-18(25)11-26-16-9-12(19)3-8-15(16)20/h3-9H,10-11H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyRMIUCMBCCMNGGT-UHFFFAOYSA-N
MW396.27 g/mol
LogP3.19
Rot. Bonds7

About 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-[4-(dimethylamino)phenyl]acetamide

2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-[4-(dimethylamino)phenyl]acetamide (PubChem CID 110615374) has the molecular formula C18H19Cl2N3O3 and a molecular weight of 396.27 g/mol. Its IUPAC name is 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-[4-(dimethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-[4-(dimethylamino)phenyl]acetamide
PubChem CID110615374
Molecular FormulaC18H19Cl2N3O3
Molecular Weight396.27 g/mol
Exact Mass395.08
IUPAC Name2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-[4-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1ccc(NC(=O)CNC(=O)COc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C18H19Cl2N3O3/c1-23(2)14-6-4-13(5-7-14)22-17(24)10-21-18(25)11-26-16-9-12(19)3-8-15(16)20/h3-9H,10-11H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyRMIUCMBCCMNGGT-UHFFFAOYSA-N
XLogP3.19
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.27
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[[2-(2,5-dichlorophenoxy)acetyl]amino]acetamide
CID 110615456
2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 47115759
2-(2,5-dichlorophenoxy)-N-[[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 1283615
N-(4-acetylphenyl)-2-(2,5-dichlorophenoxy)acetamide
CID 724281
2-(2,5-dichlorophenoxy)-N-[4-(methylcarbamoylamino)phenyl]acetamide
CID 46518487
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 2500780
2-[(4-chlorophenyl)carbamoylamino]-N-[4-(dimethylamino)phenyl]acetamide
CID 110407251
N-[4-(dimethylamino)phenyl]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide
CID 110673431
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 8709029
2-(2,5-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide
CID 19165328
2-(2,5-dichlorophenoxy)-N-(3,4-difluorophenyl)acetamide
CID 7185406
2-methoxyethyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate
CID 19169315

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-[4-(dimethylamino)phenyl]acetamide?
The IUPAC name of 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-[4-(dimethylamino)phenyl]acetamide (CID 110615374) is 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-[4-(dimethylamino)phenyl]acetamide.
What is the SMILES notation for 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-[4-(dimethylamino)phenyl]acetamide?
The canonical SMILES for 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-[4-(dimethylamino)phenyl]acetamide is CN(C)c1ccc(NC(=O)CNC(=O)COc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-[4-(dimethylamino)phenyl]acetamide?
The InChIKey is RMIUCMBCCMNGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O3/c1-23(2)14-6-4-13(5-7-14)22-17(24)10-21-18(25)11-26-16-9-12(19)3-8-15(16)20/h3-9H,10-11H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-[4-(dimethylamino)phenyl]acetamide?
2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-[4-(dimethylamino)phenyl]acetamide has a molecular weight of 396.27 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-[4-(dimethylamino)phenyl]acetamide is sourced from PubChem (CID 110615374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).