[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-hydroxybenzoate

C16H13F2NO5 — CID 2387667

IUPAC[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-hydroxybenzoate
SMILESO=C(COC(=O)c1ccccc1O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H13F2NO5/c17-16(18)24-11-7-5-10(6-8-11)19-14(21)9-23-15(22)12-3-1-2-4-13(12)20/h1-8,16,20H,9H2,(H,19,21)
InChIKeyMIKIJFODTJGFDI-UHFFFAOYSA-N
MW337.28 g/mol
LogP2.79
Rot. Bonds6

About [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-hydroxybenzoate

[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-hydroxybenzoate (PubChem CID 2387667) has the molecular formula C16H13F2NO5 and a molecular weight of 337.28 g/mol. Its IUPAC name is [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-hydroxybenzoate.

Molecular Properties

Compound Name[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-hydroxybenzoate
PubChem CID2387667
Molecular FormulaC16H13F2NO5
Molecular Weight337.28 g/mol
Exact Mass337.08
IUPAC Name[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-hydroxybenzoate
SMILESO=C(COC(=O)c1ccccc1O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H13F2NO5/c17-16(18)24-11-7-5-10(6-8-11)19-14(21)9-23-15(22)12-3-1-2-4-13(12)20/h1-8,16,20H,9H2,(H,19,21)
InChIKeyMIKIJFODTJGFDI-UHFFFAOYSA-N
XLogP2.79
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.28
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-hydroxybenzoate?
The IUPAC name of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-hydroxybenzoate (CID 2387667) is [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-hydroxybenzoate.
What is the SMILES notation for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-hydroxybenzoate?
The canonical SMILES for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-hydroxybenzoate is O=C(COC(=O)c1ccccc1O)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-hydroxybenzoate?
The InChIKey is MIKIJFODTJGFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO5/c17-16(18)24-11-7-5-10(6-8-11)19-14(21)9-23-15(22)12-3-1-2-4-13(12)20/h1-8,16,20H,9H2,(H,19,21).
What are the key properties of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-hydroxybenzoate?
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-hydroxybenzoate has a molecular weight of 337.28 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-hydroxybenzoate is sourced from PubChem (CID 2387667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).