(4-chlorophenyl) 3-acetamidobenzoate

C15H12ClNO3 — CID 47098149

IUPAC(4-chlorophenyl) 3-acetamidobenzoate
SMILESCC(=O)Nc1cccc(C(=O)Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H12ClNO3/c1-10(18)17-13-4-2-3-11(9-13)15(19)20-14-7-5-12(16)6-8-14/h2-9H,1H3,(H,17,18)
InChIKeyXDANOMOTRRADOS-UHFFFAOYSA-N
MW289.72 g/mol
LogP3.52
Rot. Bonds3

About (4-chlorophenyl) 3-acetamidobenzoate

(4-chlorophenyl) 3-acetamidobenzoate (PubChem CID 47098149) has the molecular formula C15H12ClNO3 and a molecular weight of 289.72 g/mol. Its IUPAC name is (4-chlorophenyl) 3-acetamidobenzoate.

Molecular Properties

Compound Name(4-chlorophenyl) 3-acetamidobenzoate
PubChem CID47098149
Molecular FormulaC15H12ClNO3
Molecular Weight289.72 g/mol
Exact Mass289.05
IUPAC Name(4-chlorophenyl) 3-acetamidobenzoate
SMILESCC(=O)Nc1cccc(C(=O)Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H12ClNO3/c1-10(18)17-13-4-2-3-11(9-13)15(19)20-14-7-5-12(16)6-8-14/h2-9H,1H3,(H,17,18)
InChIKeyXDANOMOTRRADOS-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-methylphenyl) 3-acetamidobenzoate
CID 47098191
(4-acetamidophenyl) 4-chlorobenzoate
CID 586902
(4-chlorophenyl) 3-chlorobenzoate
CID 23011218
methyl 3-[[(2S)-2-(4-chlorophenoxy)propanoyl]amino]benzoate
CID 2676529
(3-acetamidophenyl) 3-fluorobenzoate
CID 8007869
(4-methylphenyl) 3-(carbamoylamino)benzoate
CID 47098186
3-acetamido-N-(5-chloro-2-pyridinyl)benzamide
CID 13177093
(3-acetamidophenyl) 3-ethoxybenzoate
CID 780025
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-acetamidobenzoate
CID 2582191
[4-[(4-chlorophenyl)carbamoylamino]phenyl] benzoate
CID 155294828
(4-acetylphenyl) 3-acetylbenzoate
CID 58763507
(3-acetamidophenyl) 3-cyanobenzoate
CID 8874059

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) 3-acetamidobenzoate?
The IUPAC name of (4-chlorophenyl) 3-acetamidobenzoate (CID 47098149) is (4-chlorophenyl) 3-acetamidobenzoate.
What is the SMILES notation for (4-chlorophenyl) 3-acetamidobenzoate?
The canonical SMILES for (4-chlorophenyl) 3-acetamidobenzoate is CC(=O)Nc1cccc(C(=O)Oc2ccc(Cl)cc2)c1.
What is the InChIKey of (4-chlorophenyl) 3-acetamidobenzoate?
The InChIKey is XDANOMOTRRADOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO3/c1-10(18)17-13-4-2-3-11(9-13)15(19)20-14-7-5-12(16)6-8-14/h2-9H,1H3,(H,17,18).
What are the key properties of (4-chlorophenyl) 3-acetamidobenzoate?
(4-chlorophenyl) 3-acetamidobenzoate 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-chlorophenyl) 3-acetamidobenzoate is sourced from PubChem (CID 47098149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).