(4-acetamidophenyl) 2-(4-chlorophenoxy)acetate

C16H14ClNO4 — CID 4938690

IUPAC(4-acetamidophenyl) 2-(4-chlorophenoxy)acetate
SMILESCC(=O)Nc1ccc(OC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H14ClNO4/c1-11(19)18-13-4-8-15(9-5-13)22-16(20)10-21-14-6-2-12(17)3-7-14/h2-9H,10H2,1H3,(H,18,19)
InChIKeyDRWQRBYGJQFQIH-UHFFFAOYSA-N
MW319.74 g/mol
LogP3.28
Rot. Bonds5

About (4-acetamidophenyl) 2-(4-chlorophenoxy)acetate

(4-acetamidophenyl) 2-(4-chlorophenoxy)acetate (PubChem CID 4938690) has the molecular formula C16H14ClNO4 and a molecular weight of 319.74 g/mol. Its IUPAC name is (4-acetamidophenyl) 2-(4-chlorophenoxy)acetate.

Molecular Properties

Compound Name(4-acetamidophenyl) 2-(4-chlorophenoxy)acetate
PubChem CID4938690
Molecular FormulaC16H14ClNO4
Molecular Weight319.74 g/mol
Exact Mass319.06
IUPAC Name(4-acetamidophenyl) 2-(4-chlorophenoxy)acetate
SMILESCC(=O)Nc1ccc(OC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H14ClNO4/c1-11(19)18-13-4-8-15(9-5-13)22-16(20)10-21-14-6-2-12(17)3-7-14/h2-9H,10H2,1H3,(H,18,19)
InChIKeyDRWQRBYGJQFQIH-UHFFFAOYSA-N
XLogP3.28
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.74
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-chlorophenyl) 2-[4-[2-(4-chlorophenoxy)-2-oxoethoxy]phenoxy]acetate
CID 10503577
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 2521223
(4-acetamidophenyl) 2-(4-cyanophenoxy)acetate
CID 26681952
(4-acetamidophenyl) 2-(4-chlorophenyl)acetate
CID 4938737
(4-acetamidophenyl) 3-(4-chlorophenyl)propanoate
CID 51277629
bis(4-acetamidophenyl) propanedioate
CID 58435595
(4-acetamidophenyl) 4-chlorobenzoate
CID 586902
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623
(4-cyanophenyl) 2-(4-chlorophenoxy)acetate
CID 4810628
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(4-methoxyphenoxy)acetate
CID 19179597
2-(4-acetamidophenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 7203488
[4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 19180152

Frequently Asked Questions

What is the IUPAC name of (4-acetamidophenyl) 2-(4-chlorophenoxy)acetate?
The IUPAC name of (4-acetamidophenyl) 2-(4-chlorophenoxy)acetate (CID 4938690) is (4-acetamidophenyl) 2-(4-chlorophenoxy)acetate.
What is the SMILES notation for (4-acetamidophenyl) 2-(4-chlorophenoxy)acetate?
The canonical SMILES for (4-acetamidophenyl) 2-(4-chlorophenoxy)acetate is CC(=O)Nc1ccc(OC(=O)COc2ccc(Cl)cc2)cc1.
What is the InChIKey of (4-acetamidophenyl) 2-(4-chlorophenoxy)acetate?
The InChIKey is DRWQRBYGJQFQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO4/c1-11(19)18-13-4-8-15(9-5-13)22-16(20)10-21-14-6-2-12(17)3-7-14/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of (4-acetamidophenyl) 2-(4-chlorophenoxy)acetate?
(4-acetamidophenyl) 2-(4-chlorophenoxy)acetate has a molecular weight of 319.74 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamidophenyl) 2-(4-chlorophenoxy)acetate is sourced from PubChem (CID 4938690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).