2-(3,4-dichloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide

C22H20Cl2N2O3 — CID 54811847

IUPAC2-(3,4-dichloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
SMILESO=C(CNc1ccc(Cl)c(Cl)c1)Nc1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C22H20Cl2N2O3/c23-20-10-9-16(14-21(20)24)25-15-22(27)26-17-5-4-8-19(13-17)29-12-11-28-18-6-2-1-3-7-18/h1-10,13-14,25H,11-12,15H2,(H,26,27)
InChIKeyWLMJHDFDUQMNIP-UHFFFAOYSA-N
MW431.32 g/mol
LogP5.50
Rot. Bonds9

About 2-(3,4-dichloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide

2-(3,4-dichloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide (PubChem CID 54811847) has the molecular formula C22H20Cl2N2O3 and a molecular weight of 431.32 g/mol. Its IUPAC name is 2-(3,4-dichloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
PubChem CID54811847
Molecular FormulaC22H20Cl2N2O3
Molecular Weight431.32 g/mol
Exact Mass430.09
IUPAC Name2-(3,4-dichloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
SMILESO=C(CNc1ccc(Cl)c(Cl)c1)Nc1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C22H20Cl2N2O3/c23-20-10-9-16(14-21(20)24)25-15-22(27)26-17-5-4-8-19(13-17)29-12-11-28-18-6-2-1-3-7-18/h1-10,13-14,25H,11-12,15H2,(H,26,27)
InChIKeyWLMJHDFDUQMNIP-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

2-(3,4-dichloroanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide
CID 54811762
2-(2-chloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54810439
2-(3,4-dimethylanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54811716
2-(4-methylanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54813929
2-(4-iodoanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54812430
2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54827581
2-(3,5-dimethylanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54813315
2-(3-chloro-4-methylanilino)-N-(3-propoxyphenyl)acetamide
CID 54815945
N-(3-chloro-4-fluorophenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54822742
N-[4-(2-ethoxyethoxy)phenyl]-2-[3-(2-phenoxyethoxy)anilino]acetamide
CID 54825982
2-[4-(2-phenoxyethoxy)anilino]-N-(3-prop-2-enoxyphenyl)acetamide
CID 54822985
N-[3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54837399

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide?
The IUPAC name of 2-(3,4-dichloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide (CID 54811847) is 2-(3,4-dichloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(3,4-dichloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide?
The canonical SMILES for 2-(3,4-dichloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide is O=C(CNc1ccc(Cl)c(Cl)c1)Nc1cccc(OCCOc2ccccc2)c1.
What is the InChIKey of 2-(3,4-dichloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide?
The InChIKey is WLMJHDFDUQMNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O3/c23-20-10-9-16(14-21(20)24)25-15-22(27)26-17-5-4-8-19(13-17)29-12-11-28-18-6-2-1-3-7-18/h1-10,13-14,25H,11-12,15H2,(H,26,27).
What are the key properties of 2-(3,4-dichloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide?
2-(3,4-dichloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]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 2-(3,4-dichloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide is sourced from PubChem (CID 54811847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).