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

C19H17F2NO4 — CID 45267449

IUPAC[4-(2,4-difluorophenyl)-2-(morpholine-4-carbonyl)phenyl] acetate
SMILESCC(=O)Oc1ccc(-c2ccc(F)cc2F)cc1C(=O)N1CCOCC1
InChIInChI=1S/C19H17F2NO4/c1-12(23)26-18-5-2-13(15-4-3-14(20)11-17(15)21)10-16(18)19(24)22-6-8-25-9-7-22/h2-5,10-11H,6-9H2,1H3
InChIKeyRLLVLKGMJUEMEC-UHFFFAOYSA-N
MW361.34 g/mol
LogP3.03
Rot. Bonds3

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

[4-(2,4-difluorophenyl)-2-(morpholine-4-carbonyl)phenyl] acetate (PubChem CID 45267449) has the molecular formula C19H17F2NO4 and a molecular weight of 361.34 g/mol. Its IUPAC name is [4-(2,4-difluorophenyl)-2-(morpholine-4-carbonyl)phenyl] acetate.

Molecular Properties

Compound Name[4-(2,4-difluorophenyl)-2-(morpholine-4-carbonyl)phenyl] acetate
PubChem CID45267449
Molecular FormulaC19H17F2NO4
Molecular Weight361.34 g/mol
Exact Mass361.11
IUPAC Name[4-(2,4-difluorophenyl)-2-(morpholine-4-carbonyl)phenyl] acetate
SMILESCC(=O)Oc1ccc(-c2ccc(F)cc2F)cc1C(=O)N1CCOCC1
InChIInChI=1S/C19H17F2NO4/c1-12(23)26-18-5-2-13(15-4-3-14(20)11-17(15)21)10-16(18)19(24)22-6-8-25-9-7-22/h2-5,10-11H,6-9H2,1H3
InChIKeyRLLVLKGMJUEMEC-UHFFFAOYSA-N
XLogP3.03
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.34
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(2,4-difluorophenyl)-2-(morpholine-4-carbonyl)phenyl] acetate?
The IUPAC name of [4-(2,4-difluorophenyl)-2-(morpholine-4-carbonyl)phenyl] acetate (CID 45267449) is [4-(2,4-difluorophenyl)-2-(morpholine-4-carbonyl)phenyl] acetate.
What is the SMILES notation for [4-(2,4-difluorophenyl)-2-(morpholine-4-carbonyl)phenyl] acetate?
The canonical SMILES for [4-(2,4-difluorophenyl)-2-(morpholine-4-carbonyl)phenyl] acetate is CC(=O)Oc1ccc(-c2ccc(F)cc2F)cc1C(=O)N1CCOCC1.
What is the InChIKey of [4-(2,4-difluorophenyl)-2-(morpholine-4-carbonyl)phenyl] acetate?
The InChIKey is RLLVLKGMJUEMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NO4/c1-12(23)26-18-5-2-13(15-4-3-14(20)11-17(15)21)10-16(18)19(24)22-6-8-25-9-7-22/h2-5,10-11H,6-9H2,1H3.
What are the key properties of [4-(2,4-difluorophenyl)-2-(morpholine-4-carbonyl)phenyl] acetate?
[4-(2,4-difluorophenyl)-2-(morpholine-4-carbonyl)phenyl] acetate has a molecular weight of 361.34 g/mol, XLogP of 3.03, 3 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] acetate is sourced from PubChem (CID 45267449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).