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

C22H20Cl2N2O2 — CID 54810862

IUPAC2-(2,4-dichloroanilino)-N-[3-(2-phenylethoxy)phenyl]acetamide
SMILESO=C(CNc1ccc(Cl)cc1Cl)Nc1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C22H20Cl2N2O2/c23-17-9-10-21(20(24)13-17)25-15-22(27)26-18-7-4-8-19(14-18)28-12-11-16-5-2-1-3-6-16/h1-10,13-14,25H,11-12,15H2,(H,26,27)
InChIKeyOKOQPEMHZUKZSO-UHFFFAOYSA-N
MW415.32 g/mol
LogP5.67
Rot. Bonds8

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

2-(2,4-dichloroanilino)-N-[3-(2-phenylethoxy)phenyl]acetamide (PubChem CID 54810862) has the molecular formula C22H20Cl2N2O2 and a molecular weight of 415.32 g/mol. Its IUPAC name is 2-(2,4-dichloroanilino)-N-[3-(2-phenylethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichloroanilino)-N-[3-(2-phenylethoxy)phenyl]acetamide
PubChem CID54810862
Molecular FormulaC22H20Cl2N2O2
Molecular Weight415.32 g/mol
Exact Mass414.09
IUPAC Name2-(2,4-dichloroanilino)-N-[3-(2-phenylethoxy)phenyl]acetamide
SMILESO=C(CNc1ccc(Cl)cc1Cl)Nc1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C22H20Cl2N2O2/c23-17-9-10-21(20(24)13-17)25-15-22(27)26-18-7-4-8-19(14-18)28-12-11-16-5-2-1-3-6-16/h1-10,13-14,25H,11-12,15H2,(H,26,27)
InChIKeyOKOQPEMHZUKZSO-UHFFFAOYSA-N
XLogP5.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.32
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-2-[3-(2-phenylethoxy)anilino]acetamide
CID 54828339
2-(2-methoxyanilino)-N-[3-(2-phenylethoxy)phenyl]acetamide
CID 54817560
2-(2-chloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54810439
2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenylethoxy)phenyl]acetamide
CID 54827361
4-chloro-N-[3-(2-phenylethoxy)phenyl]butanamide
CID 17161027
N-methyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide
CID 54839558
methyl 3-oxo-3-[3-(2-phenylethoxy)anilino]propanoate
CID 28638067
N-(2,6-dimethylphenyl)-2-[3-(2-phenylethoxy)anilino]acetamide
CID 54828309
N-[3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54837399
2-(2-chloroanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide
CID 54810371
N-[3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide
CID 54843325
2-(3-methylanilino)-N-[3-(3-phenylpropoxy)phenyl]acetamide
CID 54810854

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloroanilino)-N-[3-(2-phenylethoxy)phenyl]acetamide?
The IUPAC name of 2-(2,4-dichloroanilino)-N-[3-(2-phenylethoxy)phenyl]acetamide (CID 54810862) is 2-(2,4-dichloroanilino)-N-[3-(2-phenylethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dichloroanilino)-N-[3-(2-phenylethoxy)phenyl]acetamide?
The canonical SMILES for 2-(2,4-dichloroanilino)-N-[3-(2-phenylethoxy)phenyl]acetamide is O=C(CNc1ccc(Cl)cc1Cl)Nc1cccc(OCCc2ccccc2)c1.
What is the InChIKey of 2-(2,4-dichloroanilino)-N-[3-(2-phenylethoxy)phenyl]acetamide?
The InChIKey is OKOQPEMHZUKZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O2/c23-17-9-10-21(20(24)13-17)25-15-22(27)26-18-7-4-8-19(14-18)28-12-11-16-5-2-1-3-6-16/h1-10,13-14,25H,11-12,15H2,(H,26,27).
What are the key properties of 2-(2,4-dichloroanilino)-N-[3-(2-phenylethoxy)phenyl]acetamide?
2-(2,4-dichloroanilino)-N-[3-(2-phenylethoxy)phenyl]acetamide has a molecular weight of 415.32 g/mol, XLogP of 5.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloroanilino)-N-[3-(2-phenylethoxy)phenyl]acetamide is sourced from PubChem (CID 54810862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).