(2-acetamidophenyl) 3-chlorobenzoate

C15H12ClNO3 — CID 23011243

IUPAC(2-acetamidophenyl) 3-chlorobenzoate
SMILESCC(=O)Nc1ccccc1OC(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H12ClNO3/c1-10(18)17-13-7-2-3-8-14(13)20-15(19)11-5-4-6-12(16)9-11/h2-9H,1H3,(H,17,18)
InChIKeyDTHATSBPBQGDJI-UHFFFAOYSA-N
MW289.72 g/mol
LogP3.52
Rot. Bonds3

About (2-acetamidophenyl) 3-chlorobenzoate

(2-acetamidophenyl) 3-chlorobenzoate (PubChem CID 23011243) has the molecular formula C15H12ClNO3 and a molecular weight of 289.72 g/mol. Its IUPAC name is (2-acetamidophenyl) 3-chlorobenzoate.

Molecular Properties

Compound Name(2-acetamidophenyl) 3-chlorobenzoate
PubChem CID23011243
Molecular FormulaC15H12ClNO3
Molecular Weight289.72 g/mol
Exact Mass289.05
IUPAC Name(2-acetamidophenyl) 3-chlorobenzoate
SMILESCC(=O)Nc1ccccc1OC(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H12ClNO3/c1-10(18)17-13-7-2-3-8-14(13)20-15(19)11-5-4-6-12(16)9-11/h2-9H,1H3,(H,17,18)
InChIKeyDTHATSBPBQGDJI-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

(2-hydroxyphenyl) 3-chlorobenzoate
CID 4525221
[2-(2-oxopropyl)phenyl] 3-chlorobenzoate
CID 687479
(2,4-dichlorophenyl) 3-chlorobenzoate
CID 23011226
(2-nitrophenyl) 3-chlorobenzoate
CID 836200
(2-acetamidophenyl) 3-bromo-4-ethoxybenzoate
CID 23013408
(2-acetamidophenyl) hypochlorite
CID 150463309
[5-[(3-chlorobenzoyl)amino]-2-methylphenyl] 3-chlorobenzoate
CID 67213098
3-chlorobenzenecarboperoxoic acid;methanamine
CID 172721776
(3-chlorophenyl) 3-chlorobenzoate
CID 15128068
[8,9-bis[(3-chlorobenzoyl)oxy]anthracen-1-yl] 3-chlorobenzoate
CID 21455213
azane;3-chlorobenzenecarboperoxoic acid
CID 86637115
(4-ethylphenyl) 3-chlorobenzoate
CID 7314075

Frequently Asked Questions

What is the IUPAC name of (2-acetamidophenyl) 3-chlorobenzoate?
The IUPAC name of (2-acetamidophenyl) 3-chlorobenzoate (CID 23011243) is (2-acetamidophenyl) 3-chlorobenzoate.
What is the SMILES notation for (2-acetamidophenyl) 3-chlorobenzoate?
The canonical SMILES for (2-acetamidophenyl) 3-chlorobenzoate is CC(=O)Nc1ccccc1OC(=O)c1cccc(Cl)c1.
What is the InChIKey of (2-acetamidophenyl) 3-chlorobenzoate?
The InChIKey is DTHATSBPBQGDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO3/c1-10(18)17-13-7-2-3-8-14(13)20-15(19)11-5-4-6-12(16)9-11/h2-9H,1H3,(H,17,18).
What are the key properties of (2-acetamidophenyl) 3-chlorobenzoate?
(2-acetamidophenyl) 3-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 (2-acetamidophenyl) 3-chlorobenzoate is sourced from PubChem (CID 23011243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).