(4-acetamidophenyl) 3-(4-chlorophenyl)propanoate

C17H16ClNO3 — CID 51277629

IUPAC(4-acetamidophenyl) 3-(4-chlorophenyl)propanoate
SMILESCC(=O)Nc1ccc(OC(=O)CCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H16ClNO3/c1-12(20)19-15-7-9-16(10-8-15)22-17(21)11-4-13-2-5-14(18)6-3-13/h2-3,5-10H,4,11H2,1H3,(H,19,20)
InChIKeyLQTVVFLGJYGSFK-UHFFFAOYSA-N
MW317.77 g/mol
LogP3.84
Rot. Bonds5

About (4-acetamidophenyl) 3-(4-chlorophenyl)propanoate

(4-acetamidophenyl) 3-(4-chlorophenyl)propanoate (PubChem CID 51277629) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is (4-acetamidophenyl) 3-(4-chlorophenyl)propanoate.

Molecular Properties

Compound Name(4-acetamidophenyl) 3-(4-chlorophenyl)propanoate
PubChem CID51277629
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Name(4-acetamidophenyl) 3-(4-chlorophenyl)propanoate
SMILESCC(=O)Nc1ccc(OC(=O)CCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H16ClNO3/c1-12(20)19-15-7-9-16(10-8-15)22-17(21)11-4-13-2-5-14(18)6-3-13/h2-3,5-10H,4,11H2,1H3,(H,19,20)
InChIKeyLQTVVFLGJYGSFK-UHFFFAOYSA-N
XLogP3.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-acetamidophenyl) 2-(4-chlorophenyl)acetate
CID 4938737
methyl 4-[3-(4-chlorophenyl)propanoyloxy]benzoate
CID 19221018
(4-acetamidophenyl) 2-(4-chlorophenoxy)acetate
CID 4938690
bis(4-acetamidophenyl) propanedioate
CID 58435595
(4-acetamidophenyl) 4-chlorobenzoate
CID 586902
methyl 3-[4-[3-(4-chloroanilino)propoxy]phenyl]propanoate
CID 14882869
acetyl 3-(4-chlorophenyl)propanoate
CID 174360219
[4-[(4-methylphenyl)carbamoyl]phenyl] 3-(4-methoxyphenyl)propanoate
CID 19221101
[4-[(4-chlorophenyl)carbamoyl]phenyl] 3-(4-butoxy-3-ethoxyphenyl)propanoate
CID 19237022
(4-acetamidophenyl) 2-(4-bromophenyl)acetate
CID 26188194
(4-propylphenyl) 4-(4-chlorophenoxy)butanoate
CID 19184295
[4-(thiophene-2-carbonylamino)phenyl] 3-(4-methoxyphenyl)propanoate
CID 34756076

Frequently Asked Questions

What is the IUPAC name of (4-acetamidophenyl) 3-(4-chlorophenyl)propanoate?
The IUPAC name of (4-acetamidophenyl) 3-(4-chlorophenyl)propanoate (CID 51277629) is (4-acetamidophenyl) 3-(4-chlorophenyl)propanoate.
What is the SMILES notation for (4-acetamidophenyl) 3-(4-chlorophenyl)propanoate?
The canonical SMILES for (4-acetamidophenyl) 3-(4-chlorophenyl)propanoate is CC(=O)Nc1ccc(OC(=O)CCc2ccc(Cl)cc2)cc1.
What is the InChIKey of (4-acetamidophenyl) 3-(4-chlorophenyl)propanoate?
The InChIKey is LQTVVFLGJYGSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3/c1-12(20)19-15-7-9-16(10-8-15)22-17(21)11-4-13-2-5-14(18)6-3-13/h2-3,5-10H,4,11H2,1H3,(H,19,20).
What are the key properties of (4-acetamidophenyl) 3-(4-chlorophenyl)propanoate?
(4-acetamidophenyl) 3-(4-chlorophenyl)propanoate has a molecular weight of 317.77 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamidophenyl) 3-(4-chlorophenyl)propanoate is sourced from PubChem (CID 51277629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).