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

C22H20Cl2N2O3 — CID 54816061

IUPAC2-(2,3-dichloroanilino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
SMILESO=C(CNc1cccc(Cl)c1Cl)Nc1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C22H20Cl2N2O3/c23-19-7-4-8-20(22(19)24)25-15-21(27)26-16-9-11-18(12-10-16)29-14-13-28-17-5-2-1-3-6-17/h1-12,25H,13-15H2,(H,26,27)
InChIKeyGUIDZMCQKCMLLM-UHFFFAOYSA-N
MW431.32 g/mol
LogP5.50
Rot. Bonds9

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

2-(2,3-dichloroanilino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide (PubChem CID 54816061) has the molecular formula C22H20Cl2N2O3 and a molecular weight of 431.32 g/mol. Its IUPAC name is 2-(2,3-dichloroanilino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dichloroanilino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
PubChem CID54816061
Molecular FormulaC22H20Cl2N2O3
Molecular Weight431.32 g/mol
Exact Mass430.09
IUPAC Name2-(2,3-dichloroanilino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
SMILESO=C(CNc1cccc(Cl)c1Cl)Nc1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C22H20Cl2N2O3/c23-19-7-4-8-20(22(19)24)25-15-21(27)26-16-9-11-18(12-10-16)29-14-13-28-17-5-2-1-3-6-17/h1-12,25H,13-15H2,(H,26,27)
InChIKeyGUIDZMCQKCMLLM-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-(2-chloroanilino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 54810242
2-(2,3-dichloroanilino)-N-(4-propoxyphenyl)acetamide
CID 54815982
2-(2,3-dichloroanilino)-N-(4-hexoxyphenyl)acetamide
CID 54815954
2-(2-chloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54810439
N-(4-chlorophenyl)-2-(2,3-dichloroanilino)acetamide
CID 29039257
N-(4-acetamidophenyl)-2-(2,3-dichloroanilino)acetamide
CID 54816111
2-[4-(2-phenoxyethoxy)anilino]-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 54823077
2-(2-chloroanilino)-N-(4-phenoxyphenyl)acetamide
CID 54810461
2-(2-chloroanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54810463
N-[4-(2-phenoxyethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide
CID 54824592
N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54835679
N-(4-bromophenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54821631

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloroanilino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide?
The IUPAC name of 2-(2,3-dichloroanilino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide (CID 54816061) is 2-(2,3-dichloroanilino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2,3-dichloroanilino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide?
The canonical SMILES for 2-(2,3-dichloroanilino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide is O=C(CNc1cccc(Cl)c1Cl)Nc1ccc(OCCOc2ccccc2)cc1.
What is the InChIKey of 2-(2,3-dichloroanilino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide?
The InChIKey is GUIDZMCQKCMLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O3/c23-19-7-4-8-20(22(19)24)25-15-21(27)26-16-9-11-18(12-10-16)29-14-13-28-17-5-2-1-3-6-17/h1-12,25H,13-15H2,(H,26,27).
What are the key properties of 2-(2,3-dichloroanilino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide?
2-(2,3-dichloroanilino)-N-[4-(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-(2,3-dichloroanilino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide is sourced from PubChem (CID 54816061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).