[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2-methylbenzoate

C19H19F2NO4 — CID 9202546

IUPAC[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2-methylbenzoate
SMILESCc1ccccc1C(=O)OCC(=O)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H19F2NO4/c1-13-4-2-3-5-16(13)18(24)25-12-17(23)22-11-10-14-6-8-15(9-7-14)26-19(20)21/h2-9,19H,10-12H2,1H3,(H,22,23)
InChIKeyRYGLIUNRZSSPKI-UHFFFAOYSA-N
MW363.36 g/mol
LogP3.11
Rot. Bonds8

About [2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2-methylbenzoate

[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2-methylbenzoate (PubChem CID 9202546) has the molecular formula C19H19F2NO4 and a molecular weight of 363.36 g/mol. Its IUPAC name is [2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2-methylbenzoate.

Molecular Properties

Compound Name[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2-methylbenzoate
PubChem CID9202546
Molecular FormulaC19H19F2NO4
Molecular Weight363.36 g/mol
Exact Mass363.13
IUPAC Name[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2-methylbenzoate
SMILESCc1ccccc1C(=O)OCC(=O)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H19F2NO4/c1-13-4-2-3-5-16(13)18(24)25-12-17(23)22-11-10-14-6-8-15(9-7-14)26-19(20)21/h2-9,19H,10-12H2,1H3,(H,22,23)
InChIKeyRYGLIUNRZSSPKI-UHFFFAOYSA-N
XLogP3.11
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2-methylbenzoate?
The IUPAC name of [2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2-methylbenzoate (CID 9202546) is [2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2-methylbenzoate.
What is the SMILES notation for [2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2-methylbenzoate?
The canonical SMILES for [2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2-methylbenzoate is Cc1ccccc1C(=O)OCC(=O)NCCc1ccc(OC(F)F)cc1.
What is the InChIKey of [2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2-methylbenzoate?
The InChIKey is RYGLIUNRZSSPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO4/c1-13-4-2-3-5-16(13)18(24)25-12-17(23)22-11-10-14-6-8-15(9-7-14)26-19(20)21/h2-9,19H,10-12H2,1H3,(H,22,23).
What are the key properties of [2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2-methylbenzoate?
[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2-methylbenzoate has a molecular weight of 363.36 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2-methylbenzoate is sourced from PubChem (CID 9202546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).