N-(5-chloro-2-methylphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide

C23H23ClN2O3 — CID 54826790

IUPACN-(5-chloro-2-methylphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CNc1ccccc1OCCOc1ccccc1
InChIInChI=1S/C23H23ClN2O3/c1-17-11-12-18(24)15-21(17)26-23(27)16-25-20-9-5-6-10-22(20)29-14-13-28-19-7-3-2-4-8-19/h2-12,15,25H,13-14,16H2,1H3,(H,26,27)
InChIKeyXUDBQGZQOWENRL-UHFFFAOYSA-N
MW410.90 g/mol
LogP5.16
Rot. Bonds9

About N-(5-chloro-2-methylphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide

N-(5-chloro-2-methylphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide (PubChem CID 54826790) has the molecular formula C23H23ClN2O3 and a molecular weight of 410.90 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
PubChem CID54826790
Molecular FormulaC23H23ClN2O3
Molecular Weight410.90 g/mol
Exact Mass410.14
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CNc1ccccc1OCCOc1ccccc1
InChIInChI=1S/C23H23ClN2O3/c1-17-11-12-18(24)15-21(17)26-23(27)16-25-20-9-5-6-10-22(20)29-14-13-28-19-7-3-2-4-8-19/h2-12,15,25H,13-14,16H2,1H3,(H,26,27)
InChIKeyXUDBQGZQOWENRL-UHFFFAOYSA-N
XLogP5.16
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.90
LogP ≤ 55.16
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-(2,5-dichlorophenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54826760
N-(5-chloro-2-methylphenyl)-2-(2-phenoxyethoxy)benzamide
CID 4954394
2-[2-(2-phenoxyethoxy)anilino]-N-(2,4,5-trichlorophenyl)acetamide
CID 54826934
2-(5-chloro-2-methylanilino)-N-(2-ethoxyphenyl)acetamide
CID 9102968
2-(2-chloroanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54810463
2-(2-ethoxyanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54817274
N-(2-ethoxyphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54827090
N-(3,5-dimethylphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54827087
2-[2-(2-phenoxyethoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 54827093
2-(5-chloro-2-methylanilino)-N-(2-chlorophenyl)acetamide
CID 9102932
2-(methylamino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 46995681
2-(2,5-dimethoxyanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54814166

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide (CID 54826790) is N-(5-chloro-2-methylphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide is Cc1ccc(Cl)cc1NC(=O)CNc1ccccc1OCCOc1ccccc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide?
The InChIKey is XUDBQGZQOWENRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3/c1-17-11-12-18(24)15-21(17)26-23(27)16-25-20-9-5-6-10-22(20)29-14-13-28-19-7-3-2-4-8-19/h2-12,15,25H,13-14,16H2,1H3,(H,26,27).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide?
N-(5-chloro-2-methylphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide has a molecular weight of 410.90 g/mol, XLogP of 5.16, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide is sourced from PubChem (CID 54826790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).