2-(4-chlorophenyl)-N-[4-(3-phenylpropoxy)phenyl]acetamide

C23H22ClNO2 — CID 17130169

IUPAC2-(4-chlorophenyl)-N-[4-(3-phenylpropoxy)phenyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccc(OCCCc2ccccc2)cc1
InChIInChI=1S/C23H22ClNO2/c24-20-10-8-19(9-11-20)17-23(26)25-21-12-14-22(15-13-21)27-16-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-15H,4,7,16-17H2,(H,25,26)
InChIKeyGDXFEMYSXOJFFP-UHFFFAOYSA-N
MW379.89 g/mol
LogP5.53
Rot. Bonds8

About 2-(4-chlorophenyl)-N-[4-(3-phenylpropoxy)phenyl]acetamide

2-(4-chlorophenyl)-N-[4-(3-phenylpropoxy)phenyl]acetamide (PubChem CID 17130169) has the molecular formula C23H22ClNO2 and a molecular weight of 379.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[4-(3-phenylpropoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[4-(3-phenylpropoxy)phenyl]acetamide
PubChem CID17130169
Molecular FormulaC23H22ClNO2
Molecular Weight379.89 g/mol
Exact Mass379.13
IUPAC Name2-(4-chlorophenyl)-N-[4-(3-phenylpropoxy)phenyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccc(OCCCc2ccccc2)cc1
InChIInChI=1S/C23H22ClNO2/c24-20-10-8-19(9-11-20)17-23(26)25-21-12-14-22(15-13-21)27-16-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-15H,4,7,16-17H2,(H,25,26)
InChIKeyGDXFEMYSXOJFFP-UHFFFAOYSA-N
XLogP5.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.89
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)propanamide
CID 19220831
2-(4-chlorophenyl)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 17123541
1-(4-chlorophenyl)-3-[3-(3-phenylpropoxy)phenyl]urea
CID 17133168
N-[4-(4-chloroanilino)phenyl]-2-phenylacetamide
CID 112987026
N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130114
N-(4-acetamidophenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825334
N-[4-[[2-oxo-2-[4-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54839600
3-(4-chlorophenyl)-N-(4-pentoxyphenyl)propanamide
CID 19220836
N,N'-bis[4-(2-phenylethoxy)phenyl]nonanediamide
CID 17067257
N-[4-(4-phenylbutoxy)phenyl]acetamide
CID 143188438
3-phenyl-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 17066904

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[4-(3-phenylpropoxy)phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[4-(3-phenylpropoxy)phenyl]acetamide (CID 17130169) is 2-(4-chlorophenyl)-N-[4-(3-phenylpropoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[4-(3-phenylpropoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[4-(3-phenylpropoxy)phenyl]acetamide is O=C(Cc1ccc(Cl)cc1)Nc1ccc(OCCCc2ccccc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[4-(3-phenylpropoxy)phenyl]acetamide?
The InChIKey is GDXFEMYSXOJFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO2/c24-20-10-8-19(9-11-20)17-23(26)25-21-12-14-22(15-13-21)27-16-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-15H,4,7,16-17H2,(H,25,26).
What are the key properties of 2-(4-chlorophenyl)-N-[4-(3-phenylpropoxy)phenyl]acetamide?
2-(4-chlorophenyl)-N-[4-(3-phenylpropoxy)phenyl]acetamide has a molecular weight of 379.89 g/mol, XLogP of 5.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[4-(3-phenylpropoxy)phenyl]acetamide is sourced from PubChem (CID 17130169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).