(4-acetamidophenyl) 4-chlorobenzoate

C15H12ClNO3 — CID 586902

IUPAC(4-acetamidophenyl) 4-chlorobenzoate
SMILESCC(=O)Nc1ccc(OC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H12ClNO3/c1-10(18)17-13-6-8-14(9-7-13)20-15(19)11-2-4-12(16)5-3-11/h2-9H,1H3,(H,17,18)
InChIKeyCLKZRPOYEYEJHY-UHFFFAOYSA-N
MW289.72 g/mol
LogP3.52
Rot. Bonds3

About (4-acetamidophenyl) 4-chlorobenzoate

(4-acetamidophenyl) 4-chlorobenzoate (PubChem CID 586902) has the molecular formula C15H12ClNO3 and a molecular weight of 289.72 g/mol. Its IUPAC name is (4-acetamidophenyl) 4-chlorobenzoate.

Molecular Properties

Compound Name(4-acetamidophenyl) 4-chlorobenzoate
PubChem CID586902
Molecular FormulaC15H12ClNO3
Molecular Weight289.72 g/mol
Exact Mass289.05
IUPAC Name(4-acetamidophenyl) 4-chlorobenzoate
SMILESCC(=O)Nc1ccc(OC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H12ClNO3/c1-10(18)17-13-6-8-14(9-7-13)20-15(19)11-2-4-12(16)5-3-11/h2-9H,1H3,(H,17,18)
InChIKeyCLKZRPOYEYEJHY-UHFFFAOYSA-N
XLogP3.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 53.52
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-methoxycarbonylphenyl) 4-acetamidobenzoate
CID 7761360
(4-acetamidophenyl) 4-iodobenzoate
CID 51152655
[4-[(E)-[[2-(4-acetamidoanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 19659684
methyl 4-(4-chlorobenzoyl)oxybenzoate
CID 4943503
[4-[(4-chlorophenyl)carbamoyl]phenyl] 4-tert-butylbenzoate
CID 19181144
(4-chlorophenyl) 3-acetamidobenzoate
CID 47098149
[4-[(4-chlorophenyl)carbamoylamino]phenyl] benzoate
CID 155294828
(4-chlorophenyl) 4-methoxybenzoate
CID 532395
(3,4-dimethylphenyl) 4-acetamidobenzoate
CID 4010192
methane;(4-methylphenyl) 4-chlorobenzoate
CID 158517384
[4-(4-acetamidophenoxy)carbonylphenyl]-(diaminomethylidene)azanium chloride
CID 135481885
(4-acetamidophenyl) 2-(4-chlorophenyl)acetate
CID 4938737

Frequently Asked Questions

What is the IUPAC name of (4-acetamidophenyl) 4-chlorobenzoate?
The IUPAC name of (4-acetamidophenyl) 4-chlorobenzoate (CID 586902) is (4-acetamidophenyl) 4-chlorobenzoate.
What is the SMILES notation for (4-acetamidophenyl) 4-chlorobenzoate?
The canonical SMILES for (4-acetamidophenyl) 4-chlorobenzoate is CC(=O)Nc1ccc(OC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (4-acetamidophenyl) 4-chlorobenzoate?
The InChIKey is CLKZRPOYEYEJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO3/c1-10(18)17-13-6-8-14(9-7-13)20-15(19)11-2-4-12(16)5-3-11/h2-9H,1H3,(H,17,18).
What are the key properties of (4-acetamidophenyl) 4-chlorobenzoate?
(4-acetamidophenyl) 4-chlorobenzoate has a molecular weight of 289.72 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamidophenyl) 4-chlorobenzoate is sourced from PubChem (CID 586902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).