(4-acetamidophenyl) 2-(4-bromophenyl)acetate

C16H14BrNO3 — CID 26188194

IUPAC(4-acetamidophenyl) 2-(4-bromophenyl)acetate
SMILESCC(=O)Nc1ccc(OC(=O)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H14BrNO3/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)
InChIKeyHAAQSZOAVKNUTP-UHFFFAOYSA-N
MW348.20 g/mol
LogP3.56
Rot. Bonds4

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

(4-acetamidophenyl) 2-(4-bromophenyl)acetate (PubChem CID 26188194) has the molecular formula C16H14BrNO3 and a molecular weight of 348.20 g/mol. Its IUPAC name is (4-acetamidophenyl) 2-(4-bromophenyl)acetate.

Molecular Properties

Compound Name(4-acetamidophenyl) 2-(4-bromophenyl)acetate
PubChem CID26188194
Molecular FormulaC16H14BrNO3
Molecular Weight348.20 g/mol
Exact Mass347.02
IUPAC Name(4-acetamidophenyl) 2-(4-bromophenyl)acetate
SMILESCC(=O)Nc1ccc(OC(=O)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H14BrNO3/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)
InChIKeyHAAQSZOAVKNUTP-UHFFFAOYSA-N
XLogP3.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 53.56
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
(4-propanoylphenyl) 2-(4-acetamidophenyl)acetate
CID 27844669
bis(4-acetamidophenyl) propanedioate
CID 58435595
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(4-acetamidophenyl)acetate
CID 35545565
2-(4-bromophenyl)-N-(4-ethoxyphenyl)acetamide
CID 2268503
N-(4-bromophenyl)-2-(4-ethoxyphenyl)acetamide
CID 8719858
N-(4-acetamidophenyl)-2-(4-bromophenoxy)acetamide
CID 1097313
2-(4-acetamidophenyl)-N-[(4-bromophenyl)methyl]-N-methylacetamide
CID 32758175
(2,4,6-trimethylphenyl) 2-(4-acetamidophenyl)acetate
CID 32993567
(4-acetamidophenyl) (E)-3-[4-[(4-bromophenyl)methoxy]phenyl]prop-2-enoate
CID 102530857
(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 914131
(4-acetamidophenyl) 3-(4-chlorophenyl)propanoate
CID 51277629

Frequently Asked Questions

What is the IUPAC name of (4-acetamidophenyl) 2-(4-bromophenyl)acetate?
The IUPAC name of (4-acetamidophenyl) 2-(4-bromophenyl)acetate (CID 26188194) is (4-acetamidophenyl) 2-(4-bromophenyl)acetate.
What is the SMILES notation for (4-acetamidophenyl) 2-(4-bromophenyl)acetate?
The canonical SMILES for (4-acetamidophenyl) 2-(4-bromophenyl)acetate is CC(=O)Nc1ccc(OC(=O)Cc2ccc(Br)cc2)cc1.
What is the InChIKey of (4-acetamidophenyl) 2-(4-bromophenyl)acetate?
The InChIKey is HAAQSZOAVKNUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO3/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-bromophenyl)acetate?
(4-acetamidophenyl) 2-(4-bromophenyl)acetate has a molecular weight of 348.20 g/mol, XLogP of 3.56, 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-bromophenyl)acetate is sourced from PubChem (CID 26188194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).