[4-(4-fluorobenzoyl)phenyl] 3-(oxolane-2-carbonylamino)benzoate

C25H20FNO5 — CID 42943945

IUPAC[4-(4-fluorobenzoyl)phenyl] 3-(oxolane-2-carbonylamino)benzoate
SMILESO=C(Oc1ccc(C(=O)c2ccc(F)cc2)cc1)c1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C25H20FNO5/c26-19-10-6-16(7-11-19)23(28)17-8-12-21(13-9-17)32-25(30)18-3-1-4-20(15-18)27-24(29)22-5-2-14-31-22/h1,3-4,6-13,15,22H,2,5,14H2,(H,27,29)
InChIKeyRPZFFVJGTKZCQL-UHFFFAOYSA-N
MW433.44 g/mol
LogP4.39
Rot. Bonds6

About [4-(4-fluorobenzoyl)phenyl] 3-(oxolane-2-carbonylamino)benzoate

[4-(4-fluorobenzoyl)phenyl] 3-(oxolane-2-carbonylamino)benzoate (PubChem CID 42943945) has the molecular formula C25H20FNO5 and a molecular weight of 433.44 g/mol. Its IUPAC name is [4-(4-fluorobenzoyl)phenyl] 3-(oxolane-2-carbonylamino)benzoate.

Molecular Properties

Compound Name[4-(4-fluorobenzoyl)phenyl] 3-(oxolane-2-carbonylamino)benzoate
PubChem CID42943945
Molecular FormulaC25H20FNO5
Molecular Weight433.44 g/mol
Exact Mass433.13
IUPAC Name[4-(4-fluorobenzoyl)phenyl] 3-(oxolane-2-carbonylamino)benzoate
SMILESO=C(Oc1ccc(C(=O)c2ccc(F)cc2)cc1)c1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C25H20FNO5/c26-19-10-6-16(7-11-19)23(28)17-8-12-21(13-9-17)32-25(30)18-3-1-4-20(15-18)27-24(29)22-5-2-14-31-22/h1,3-4,6-13,15,22H,2,5,14H2,(H,27,29)
InChIKeyRPZFFVJGTKZCQL-UHFFFAOYSA-N
XLogP4.39
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

cyclooctyl 3-[[(2S)-oxolane-2-carbonyl]amino]benzoate
CID 97011530
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46634846
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
(2R)-N-[3-[[3-(trifluoromethoxy)phenyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 32979083
ethyl 3-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 2169884
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
(2R)-N-(3-methoxyphenyl)oxolane-2-carboxamide
CID 898392
N-(4-benzoylphenyl)oxolane-2-carboxamide
CID 11839657
(2-bromo-4-chlorophenyl) 3-(oxolane-2-carbonylamino)benzoate
CID 43049708
(2S)-N-(3-cyclopentyloxyphenyl)oxolane-2-carboxamide
CID 38405594
(2R)-N-[3-[[(1R)-1-(4-fluorophenyl)ethyl]-methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 32800330
(2R)-N-[3-(cyclopropanecarbonylamino)phenyl]oxolane-2-carboxamide
CID 38324677

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorobenzoyl)phenyl] 3-(oxolane-2-carbonylamino)benzoate?
The IUPAC name of [4-(4-fluorobenzoyl)phenyl] 3-(oxolane-2-carbonylamino)benzoate (CID 42943945) is [4-(4-fluorobenzoyl)phenyl] 3-(oxolane-2-carbonylamino)benzoate.
What is the SMILES notation for [4-(4-fluorobenzoyl)phenyl] 3-(oxolane-2-carbonylamino)benzoate?
The canonical SMILES for [4-(4-fluorobenzoyl)phenyl] 3-(oxolane-2-carbonylamino)benzoate is O=C(Oc1ccc(C(=O)c2ccc(F)cc2)cc1)c1cccc(NC(=O)C2CCCO2)c1.
What is the InChIKey of [4-(4-fluorobenzoyl)phenyl] 3-(oxolane-2-carbonylamino)benzoate?
The InChIKey is RPZFFVJGTKZCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FNO5/c26-19-10-6-16(7-11-19)23(28)17-8-12-21(13-9-17)32-25(30)18-3-1-4-20(15-18)27-24(29)22-5-2-14-31-22/h1,3-4,6-13,15,22H,2,5,14H2,(H,27,29).
What are the key properties of [4-(4-fluorobenzoyl)phenyl] 3-(oxolane-2-carbonylamino)benzoate?
[4-(4-fluorobenzoyl)phenyl] 3-(oxolane-2-carbonylamino)benzoate has a molecular weight of 433.44 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorobenzoyl)phenyl] 3-(oxolane-2-carbonylamino)benzoate is sourced from PubChem (CID 42943945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).