(4-acetamidophenyl) 2-(4-chlorophenyl)acetate

C16H14ClNO3 — CID 4938737

IUPAC(4-acetamidophenyl) 2-(4-chlorophenyl)acetate
SMILESCC(=O)Nc1ccc(OC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H14ClNO3/c1-11(19)18-14-6-8-15(9-7-14)21-16(20)10-12-2-4-13(17)5-3-12/h2-9H,10H2,1H3,(H,18,19)
InChIKeyUMWPDKFSPRLCSA-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.45
Rot. Bonds4

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

(4-acetamidophenyl) 2-(4-chlorophenyl)acetate (PubChem CID 4938737) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is (4-acetamidophenyl) 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name(4-acetamidophenyl) 2-(4-chlorophenyl)acetate
PubChem CID4938737
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name(4-acetamidophenyl) 2-(4-chlorophenyl)acetate
SMILESCC(=O)Nc1ccc(OC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H14ClNO3/c1-11(19)18-14-6-8-15(9-7-14)21-16(20)10-12-2-4-13(17)5-3-12/h2-9H,10H2,1H3,(H,18,19)
InChIKeyUMWPDKFSPRLCSA-UHFFFAOYSA-N
XLogP3.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.45
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) 3-(4-chlorophenyl)propanoate
CID 51277629
(4-acetamidophenyl) 2-(4-bromophenyl)acetate
CID 26188194
(4-acetamidophenyl) 2-(4-chlorophenoxy)acetate
CID 4938690
(4-propanoylphenyl) 2-(4-acetamidophenyl)acetate
CID 27844669
bis(4-acetamidophenyl) propanedioate
CID 58435595
N-[4-[2-(4-chlorophenyl)acetyl]phenyl]acetamide
CID 43337926
(4-acetamidophenyl) 4-chlorobenzoate
CID 586902
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8671570
N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
CID 112999737
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(4-acetamidophenyl)acetate
CID 35545565
(2,4,6-trimethylphenyl) 2-(4-acetamidophenyl)acetate
CID 32993567
2-(4-acetamidophenyl)-N-[(1R)-1-(4-chlorophenyl)propyl]acetamide
CID 42138957

Frequently Asked Questions

What is the IUPAC name of (4-acetamidophenyl) 2-(4-chlorophenyl)acetate?
The IUPAC name of (4-acetamidophenyl) 2-(4-chlorophenyl)acetate (CID 4938737) is (4-acetamidophenyl) 2-(4-chlorophenyl)acetate.
What is the SMILES notation for (4-acetamidophenyl) 2-(4-chlorophenyl)acetate?
The canonical SMILES for (4-acetamidophenyl) 2-(4-chlorophenyl)acetate is CC(=O)Nc1ccc(OC(=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of (4-acetamidophenyl) 2-(4-chlorophenyl)acetate?
The InChIKey is UMWPDKFSPRLCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-11(19)18-14-6-8-15(9-7-14)21-16(20)10-12-2-4-13(17)5-3-12/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of (4-acetamidophenyl) 2-(4-chlorophenyl)acetate?
(4-acetamidophenyl) 2-(4-chlorophenyl)acetate has a molecular weight of 303.75 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamidophenyl) 2-(4-chlorophenyl)acetate is sourced from PubChem (CID 4938737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).