[4-(2,4-difluorophenyl)-2-(morpholine-4-carbonyl)phenyl] benzoate

C24H19F2NO4 — CID 45268223

IUPAC[4-(2,4-difluorophenyl)-2-(morpholine-4-carbonyl)phenyl] benzoate
SMILESO=C(Oc1ccc(-c2ccc(F)cc2F)cc1C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C24H19F2NO4/c25-18-7-8-19(21(26)15-18)17-6-9-22(31-24(29)16-4-2-1-3-5-16)20(14-17)23(28)27-10-12-30-13-11-27/h1-9,14-15H,10-13H2
InChIKeyQIZQDVGDSFYTHP-UHFFFAOYSA-N
MW423.42 g/mol
LogP4.32
Rot. Bonds4

About [4-(2,4-difluorophenyl)-2-(morpholine-4-carbonyl)phenyl] benzoate

[4-(2,4-difluorophenyl)-2-(morpholine-4-carbonyl)phenyl] benzoate (PubChem CID 45268223) has the molecular formula C24H19F2NO4 and a molecular weight of 423.42 g/mol. Its IUPAC name is [4-(2,4-difluorophenyl)-2-(morpholine-4-carbonyl)phenyl] benzoate.

Molecular Properties

Compound Name[4-(2,4-difluorophenyl)-2-(morpholine-4-carbonyl)phenyl] benzoate
PubChem CID45268223
Molecular FormulaC24H19F2NO4
Molecular Weight423.42 g/mol
Exact Mass423.13
IUPAC Name[4-(2,4-difluorophenyl)-2-(morpholine-4-carbonyl)phenyl] benzoate
SMILESO=C(Oc1ccc(-c2ccc(F)cc2F)cc1C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C24H19F2NO4/c25-18-7-8-19(21(26)15-18)17-6-9-22(31-24(29)16-4-2-1-3-5-16)20(14-17)23(28)27-10-12-30-13-11-27/h1-9,14-15H,10-13H2
InChIKeyQIZQDVGDSFYTHP-UHFFFAOYSA-N
XLogP4.32
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(2,4-difluorophenyl)-2-(dimethylcarbamoyl)phenyl] benzoate
CID 45268306
[2-(benzylcarbamoyl)-4-(2,4-difluorophenyl)phenyl] benzoate
CID 45268314
CID 90319937
CID 90319937
2-acetyloxy-5-(2,4-difluorophenyl)benzoic acid
CID 10447030
[4-bromo-2-(morpholine-4-carbothioyl)phenyl] benzoate
CID 1127249
[2-(benzylcarbamoyl)-4-(2,4-difluorophenyl)phenyl] 4-chlorobenzoate
CID 66548160
[2-[(4-chlorophenyl)carbamoyl]-4-(2,4-difluorophenyl)phenyl] 4-chlorobenzoate
CID 66547484
5-(2,4-difluorophenyl)-2-methylsulfanylcarbonyloxybenzoic acid
CID 144552933
[4-(2,4-difluorophenyl)-2-[(2-methoxyphenyl)carbamoyl]phenyl] 4-chlorobenzoate
CID 66547485
5-(2,4-difluorophenyl)-2-fluorobenzoic acid
CID 53211194
[2-methoxy-4-(morpholine-4-carbothioyl)phenyl] benzoate
CID 1102766
methyl 2-[(2,4-difluorophenyl)methoxy]-5-(morpholine-4-carbonyl)benzoate
CID 67107388

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-difluorophenyl)-2-(morpholine-4-carbonyl)phenyl] benzoate?
The IUPAC name of [4-(2,4-difluorophenyl)-2-(morpholine-4-carbonyl)phenyl] benzoate (CID 45268223) is [4-(2,4-difluorophenyl)-2-(morpholine-4-carbonyl)phenyl] benzoate.
What is the SMILES notation for [4-(2,4-difluorophenyl)-2-(morpholine-4-carbonyl)phenyl] benzoate?
The canonical SMILES for [4-(2,4-difluorophenyl)-2-(morpholine-4-carbonyl)phenyl] benzoate is O=C(Oc1ccc(-c2ccc(F)cc2F)cc1C(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of [4-(2,4-difluorophenyl)-2-(morpholine-4-carbonyl)phenyl] benzoate?
The InChIKey is QIZQDVGDSFYTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2NO4/c25-18-7-8-19(21(26)15-18)17-6-9-22(31-24(29)16-4-2-1-3-5-16)20(14-17)23(28)27-10-12-30-13-11-27/h1-9,14-15H,10-13H2.
What are the key properties of [4-(2,4-difluorophenyl)-2-(morpholine-4-carbonyl)phenyl] benzoate?
[4-(2,4-difluorophenyl)-2-(morpholine-4-carbonyl)phenyl] benzoate has a molecular weight of 423.42 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-difluorophenyl)-2-(morpholine-4-carbonyl)phenyl] benzoate is sourced from PubChem (CID 45268223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).