2-(4-chlorophenoxy)-N-[4-(3-phenylpropoxy)phenyl]propanamide

C24H24ClNO3 — CID 17130174

IUPAC2-(4-chlorophenoxy)-N-[4-(3-phenylpropoxy)phenyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(OCCCc2ccccc2)cc1
InChIInChI=1S/C24H24ClNO3/c1-18(29-23-13-9-20(25)10-14-23)24(27)26-21-11-15-22(16-12-21)28-17-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-16,18H,5,8,17H2,1H3,(H,26,27)
InChIKeyWPCZFFOITAYKND-UHFFFAOYSA-N
MW409.91 g/mol
LogP5.76
Rot. Bonds9

About 2-(4-chlorophenoxy)-N-[4-(3-phenylpropoxy)phenyl]propanamide

2-(4-chlorophenoxy)-N-[4-(3-phenylpropoxy)phenyl]propanamide (PubChem CID 17130174) has the molecular formula C24H24ClNO3 and a molecular weight of 409.91 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[4-(3-phenylpropoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[4-(3-phenylpropoxy)phenyl]propanamide
PubChem CID17130174
Molecular FormulaC24H24ClNO3
Molecular Weight409.91 g/mol
Exact Mass409.14
IUPAC Name2-(4-chlorophenoxy)-N-[4-(3-phenylpropoxy)phenyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(OCCCc2ccccc2)cc1
InChIInChI=1S/C24H24ClNO3/c1-18(29-23-13-9-20(25)10-14-23)24(27)26-21-11-15-22(16-12-21)28-17-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-16,18H,5,8,17H2,1H3,(H,26,27)
InChIKeyWPCZFFOITAYKND-UHFFFAOYSA-N
XLogP5.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.91
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]propanamide
CID 17130212
2-(4-chlorophenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide
CID 4958215
(2S)-2-(4-chlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 9233741
2-phenoxy-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 17066974
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
2-(4-chlorophenyl)-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 17130169
2-(4-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
CID 4940648
2-(4-chlorophenoxy)-N-[4-[[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide
CID 4944300
N-(4-acetamidophenyl)-2-(4-chlorophenoxy)propanamide
CID 4943851
N-[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]-2-methylpropanamide
CID 17187935

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[4-(3-phenylpropoxy)phenyl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[4-(3-phenylpropoxy)phenyl]propanamide (CID 17130174) is 2-(4-chlorophenoxy)-N-[4-(3-phenylpropoxy)phenyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[4-(3-phenylpropoxy)phenyl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[4-(3-phenylpropoxy)phenyl]propanamide is CC(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(OCCCc2ccccc2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[4-(3-phenylpropoxy)phenyl]propanamide?
The InChIKey is WPCZFFOITAYKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNO3/c1-18(29-23-13-9-20(25)10-14-23)24(27)26-21-11-15-22(16-12-21)28-17-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-16,18H,5,8,17H2,1H3,(H,26,27).
What are the key properties of 2-(4-chlorophenoxy)-N-[4-(3-phenylpropoxy)phenyl]propanamide?
2-(4-chlorophenoxy)-N-[4-(3-phenylpropoxy)phenyl]propanamide has a molecular weight of 409.91 g/mol, XLogP of 5.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[4-(3-phenylpropoxy)phenyl]propanamide is sourced from PubChem (CID 17130174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).