2-(4-chlorophenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide

C23H22ClNO4 — CID 4958215

IUPAC2-(4-chlorophenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C23H22ClNO4/c1-17(29-22-11-7-18(24)8-12-22)23(26)25-19-9-13-21(14-10-19)28-16-15-27-20-5-3-2-4-6-20/h2-14,17H,15-16H2,1H3,(H,25,26)
InChIKeyWOJLDZUTFLKRJJ-UHFFFAOYSA-N
MW411.89 g/mol
LogP5.20
Rot. Bonds9

About 2-(4-chlorophenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide

2-(4-chlorophenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide (PubChem CID 4958215) has the molecular formula C23H22ClNO4 and a molecular weight of 411.89 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide
PubChem CID4958215
Molecular FormulaC23H22ClNO4
Molecular Weight411.89 g/mol
Exact Mass411.12
IUPAC Name2-(4-chlorophenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C23H22ClNO4/c1-17(29-22-11-7-18(24)8-12-22)23(26)25-19-9-13-21(14-10-19)28-16-15-27-20-5-3-2-4-6-20/h2-14,17H,15-16H2,1H3,(H,25,26)
InChIKeyWOJLDZUTFLKRJJ-UHFFFAOYSA-N
XLogP5.20
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.89
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenoxy)-N-[4-(3-phenylpropoxy)phenyl]propanamide
CID 17130174
N-(4-butoxyphenyl)-2-(4-chlorophenoxy)propanamide
CID 4939762
N-(4-chlorophenyl)-2-(4-propoxyphenoxy)propanamide
CID 67473723
2-(4-chlorophenoxy)-N-phenylpropanamide
CID 4943865
(2S)-2-(4-chlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 9233741
2-phenoxy-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 17066974
2-(4-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
CID 4940648
N-(4-acetamidophenyl)-2-(4-chlorophenoxy)propanamide
CID 4943851
2-[4-(2-phenoxypropanoylamino)phenoxy]acetic acid
CID 2898320
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate
CID 9139859
N-[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]-2-methylpropanamide
CID 17187935
2-(4-chlorophenoxy)-N-[4-[[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide
CID 4944300

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide (CID 4958215) is 2-(4-chlorophenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide is CC(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(OCCOc2ccccc2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide?
The InChIKey is WOJLDZUTFLKRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO4/c1-17(29-22-11-7-18(24)8-12-22)23(26)25-19-9-13-21(14-10-19)28-16-15-27-20-5-3-2-4-6-20/h2-14,17H,15-16H2,1H3,(H,25,26).
What are the key properties of 2-(4-chlorophenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide?
2-(4-chlorophenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide has a molecular weight of 411.89 g/mol, XLogP of 5.20, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide is sourced from PubChem (CID 4958215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).