[2-(4-chloroanilino)-2-oxoethyl] 4-fluorobenzoate

C15H11ClFNO3 — CID 724983

IUPAC[2-(4-chloroanilino)-2-oxoethyl] 4-fluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)cc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H11ClFNO3/c16-11-3-7-13(8-4-11)18-14(19)9-21-15(20)10-1-5-12(17)6-2-10/h1-8H,9H2,(H,18,19)
InChIKeyQAYRKFMUWVYJLH-UHFFFAOYSA-N
MW307.71 g/mol
LogP3.27
Rot. Bonds4

About [2-(4-chloroanilino)-2-oxoethyl] 4-fluorobenzoate

[2-(4-chloroanilino)-2-oxoethyl] 4-fluorobenzoate (PubChem CID 724983) has the molecular formula C15H11ClFNO3 and a molecular weight of 307.71 g/mol. Its IUPAC name is [2-(4-chloroanilino)-2-oxoethyl] 4-fluorobenzoate.

Molecular Properties

Compound Name[2-(4-chloroanilino)-2-oxoethyl] 4-fluorobenzoate
PubChem CID724983
Molecular FormulaC15H11ClFNO3
Molecular Weight307.71 g/mol
Exact Mass307.04
IUPAC Name[2-(4-chloroanilino)-2-oxoethyl] 4-fluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)cc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H11ClFNO3/c16-11-3-7-13(8-4-11)18-14(19)9-21-15(20)10-1-5-12(17)6-2-10/h1-8H,9H2,(H,18,19)
InChIKeyQAYRKFMUWVYJLH-UHFFFAOYSA-N
XLogP3.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.71
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-acetylanilino)-2-oxoethyl] 4-fluorobenzoate
CID 2628003
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-chlorobenzoate
CID 2444631
[2-(4-chloroanilino)-2-oxoethyl] 4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 25439557
[2-(4-fluoroanilino)-2-oxoethyl] 4-benzoylbenzoate
CID 2606526
[2-(4-fluoroanilino)-2-oxoethyl] 4-formylbenzoate
CID 2504589
[2-(4-chloroanilino)-2-oxoethyl] 4-(phenylcarbamoylamino)benzoate
CID 19059171
[2-(4-chloroanilino)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386578
[2-(4-fluoroanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519427
[2-(4-chloroanilino)-2-oxoethyl] 4-ethoxybenzoate
CID 7574746
[2-(4-fluoroanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 2434348
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-chlorobenzoate
CID 2629130
[2-(4-fluoroanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7834059

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloroanilino)-2-oxoethyl] 4-fluorobenzoate?
The IUPAC name of [2-(4-chloroanilino)-2-oxoethyl] 4-fluorobenzoate (CID 724983) is [2-(4-chloroanilino)-2-oxoethyl] 4-fluorobenzoate.
What is the SMILES notation for [2-(4-chloroanilino)-2-oxoethyl] 4-fluorobenzoate?
The canonical SMILES for [2-(4-chloroanilino)-2-oxoethyl] 4-fluorobenzoate is O=C(COC(=O)c1ccc(F)cc1)Nc1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chloroanilino)-2-oxoethyl] 4-fluorobenzoate?
The InChIKey is QAYRKFMUWVYJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO3/c16-11-3-7-13(8-4-11)18-14(19)9-21-15(20)10-1-5-12(17)6-2-10/h1-8H,9H2,(H,18,19).
What are the key properties of [2-(4-chloroanilino)-2-oxoethyl] 4-fluorobenzoate?
[2-(4-chloroanilino)-2-oxoethyl] 4-fluorobenzoate has a molecular weight of 307.71 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloroanilino)-2-oxoethyl] 4-fluorobenzoate is sourced from PubChem (CID 724983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).