(3-acetamidophenyl) 3-fluorobenzoate

C15H12FNO3 — CID 8007869

IUPAC(3-acetamidophenyl) 3-fluorobenzoate
SMILESCC(=O)Nc1cccc(OC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C15H12FNO3/c1-10(18)17-13-6-3-7-14(9-13)20-15(19)11-4-2-5-12(16)8-11/h2-9H,1H3,(H,17,18)
InChIKeyNHNJINGQCJOASY-UHFFFAOYSA-N
MW273.26 g/mol
LogP3.00
Rot. Bonds3

About (3-acetamidophenyl) 3-fluorobenzoate

(3-acetamidophenyl) 3-fluorobenzoate (PubChem CID 8007869) has the molecular formula C15H12FNO3 and a molecular weight of 273.26 g/mol. Its IUPAC name is (3-acetamidophenyl) 3-fluorobenzoate.

Molecular Properties

Compound Name(3-acetamidophenyl) 3-fluorobenzoate
PubChem CID8007869
Molecular FormulaC15H12FNO3
Molecular Weight273.26 g/mol
Exact Mass273.08
IUPAC Name(3-acetamidophenyl) 3-fluorobenzoate
SMILESCC(=O)Nc1cccc(OC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C15H12FNO3/c1-10(18)17-13-6-3-7-14(9-13)20-15(19)11-4-2-5-12(16)8-11/h2-9H,1H3,(H,17,18)
InChIKeyNHNJINGQCJOASY-UHFFFAOYSA-N
XLogP3.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 53.00
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

(3-acetamidophenyl) 3-ethoxybenzoate
CID 780025
(3-acetamidophenyl) 3-cyanobenzoate
CID 8874059
[2-(3-acetamidoanilino)-2-oxoethyl] 3-fluorobenzoate
CID 8611978
(4-methylphenyl) 3-acetamidobenzoate
CID 47098191
[3-[(4-fluorobenzoyl)amino]phenyl] 4-fluorobenzoate
CID 3409068
[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 3-fluorobenzoate
CID 8612332
(4-chlorophenyl) 3-acetamidobenzoate
CID 47098149
(3-fluorophenyl) 3-hydroxybenzoate
CID 174105662
3-acetamido-N-(3-fluorophenyl)benzamide
CID 2443243
methyl 3-fluorobenzoate
CID 521184
[3-(propanoylamino)phenyl] 3-methylbenzoate
CID 17073233
3-(4-fluorophenoxy)propyl 3-acetamidobenzoate
CID 7418041

Frequently Asked Questions

What is the IUPAC name of (3-acetamidophenyl) 3-fluorobenzoate?
The IUPAC name of (3-acetamidophenyl) 3-fluorobenzoate (CID 8007869) is (3-acetamidophenyl) 3-fluorobenzoate.
What is the SMILES notation for (3-acetamidophenyl) 3-fluorobenzoate?
The canonical SMILES for (3-acetamidophenyl) 3-fluorobenzoate is CC(=O)Nc1cccc(OC(=O)c2cccc(F)c2)c1.
What is the InChIKey of (3-acetamidophenyl) 3-fluorobenzoate?
The InChIKey is NHNJINGQCJOASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO3/c1-10(18)17-13-6-3-7-14(9-13)20-15(19)11-4-2-5-12(16)8-11/h2-9H,1H3,(H,17,18).
What are the key properties of (3-acetamidophenyl) 3-fluorobenzoate?
(3-acetamidophenyl) 3-fluorobenzoate has a molecular weight of 273.26 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetamidophenyl) 3-fluorobenzoate is sourced from PubChem (CID 8007869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).