N-(2,5-dichlorophenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide

C22H20Cl2N2O3 — CID 54826760

IUPACN-(2,5-dichlorophenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
SMILESO=C(CNc1ccccc1OCCOc1ccccc1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C22H20Cl2N2O3/c23-16-10-11-18(24)20(14-16)26-22(27)15-25-19-8-4-5-9-21(19)29-13-12-28-17-6-2-1-3-7-17/h1-11,14,25H,12-13,15H2,(H,26,27)
InChIKeyRSHUAOVFRIXMEF-UHFFFAOYSA-N
MW431.32 g/mol
LogP5.50
Rot. Bonds9

About N-(2,5-dichlorophenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide

N-(2,5-dichlorophenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide (PubChem CID 54826760) has the molecular formula C22H20Cl2N2O3 and a molecular weight of 431.32 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
PubChem CID54826760
Molecular FormulaC22H20Cl2N2O3
Molecular Weight431.32 g/mol
Exact Mass430.09
IUPAC NameN-(2,5-dichlorophenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
SMILESO=C(CNc1ccccc1OCCOc1ccccc1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C22H20Cl2N2O3/c23-16-10-11-18(24)20(14-16)26-22(27)15-25-19-8-4-5-9-21(19)29-13-12-28-17-6-2-1-3-7-17/h1-11,14,25H,12-13,15H2,(H,26,27)
InChIKeyRSHUAOVFRIXMEF-UHFFFAOYSA-N
XLogP5.50
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.32
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54826790
2-[2-(2-phenoxyethoxy)anilino]-N-(2,4,5-trichlorophenyl)acetamide
CID 54826934
2-(2-chloroanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54810463
N-(3,5-dimethylphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54827087
2-(2-ethoxyanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54817274
N-(2-ethoxyphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54827090
2-(2-chloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54810439
2-[[2-oxo-2-[2-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54811936
2-(2-chloroanilino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 54810242
2-[2-(2-phenoxyethoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 54827093
2,4-dichloro-N-[2-(2-phenoxyethoxy)phenyl]benzamide
CID 17130832
2-(4-chloro-3-methylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130812

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide (CID 54826760) is N-(2,5-dichlorophenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide is O=C(CNc1ccccc1OCCOc1ccccc1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide?
The InChIKey is RSHUAOVFRIXMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O3/c23-16-10-11-18(24)20(14-16)26-22(27)15-25-19-8-4-5-9-21(19)29-13-12-28-17-6-2-1-3-7-17/h1-11,14,25H,12-13,15H2,(H,26,27).
What are the key properties of N-(2,5-dichlorophenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide?
N-(2,5-dichlorophenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide has a molecular weight of 431.32 g/mol, XLogP of 5.50, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide is sourced from PubChem (CID 54826760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).