tert-butyl 2-(N-(2-chloro-6-fluorobenzoyl)-3-hydroxyanilino)acetate

C19H19ClFNO4 — CID 59029274

IUPACtert-butyl 2-(N-(2-chloro-6-fluorobenzoyl)-3-hydroxyanilino)acetate
SMILESCC(C)(C)OC(=O)CN(C(=O)c1c(F)cccc1Cl)c1cccc(O)c1
InChIInChI=1S/C19H19ClFNO4/c1-19(2,3)26-16(24)11-22(12-6-4-7-13(23)10-12)18(25)17-14(20)8-5-9-15(17)21/h4-10,23H,11H2,1-3H3
InChIKeyLKELZXKVVBWJEW-UHFFFAOYSA-N
MW379.82 g/mol
LogP4.17
Rot. Bonds4

About tert-butyl 2-(N-(2-chloro-6-fluorobenzoyl)-3-hydroxyanilino)acetate

tert-butyl 2-(N-(2-chloro-6-fluorobenzoyl)-3-hydroxyanilino)acetate (PubChem CID 59029274) has the molecular formula C19H19ClFNO4 and a molecular weight of 379.82 g/mol. Its IUPAC name is tert-butyl 2-(N-(2-chloro-6-fluorobenzoyl)-3-hydroxyanilino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(N-(2-chloro-6-fluorobenzoyl)-3-hydroxyanilino)acetate
PubChem CID59029274
Molecular FormulaC19H19ClFNO4
Molecular Weight379.82 g/mol
Exact Mass379.10
IUPAC Nametert-butyl 2-(N-(2-chloro-6-fluorobenzoyl)-3-hydroxyanilino)acetate
SMILESCC(C)(C)OC(=O)CN(C(=O)c1c(F)cccc1Cl)c1cccc(O)c1
InChIInChI=1S/C19H19ClFNO4/c1-19(2,3)26-16(24)11-22(12-6-4-7-13(23)10-12)18(25)17-14(20)8-5-9-15(17)21/h4-10,23H,11H2,1-3H3
InChIKeyLKELZXKVVBWJEW-UHFFFAOYSA-N
XLogP4.17
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.82
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(N-(2-chloro-6-fluorobenzoyl)-3-hydroxyanilino)acetate?
The IUPAC name of tert-butyl 2-(N-(2-chloro-6-fluorobenzoyl)-3-hydroxyanilino)acetate (CID 59029274) is tert-butyl 2-(N-(2-chloro-6-fluorobenzoyl)-3-hydroxyanilino)acetate.
What is the SMILES notation for tert-butyl 2-(N-(2-chloro-6-fluorobenzoyl)-3-hydroxyanilino)acetate?
The canonical SMILES for tert-butyl 2-(N-(2-chloro-6-fluorobenzoyl)-3-hydroxyanilino)acetate is CC(C)(C)OC(=O)CN(C(=O)c1c(F)cccc1Cl)c1cccc(O)c1.
What is the InChIKey of tert-butyl 2-(N-(2-chloro-6-fluorobenzoyl)-3-hydroxyanilino)acetate?
The InChIKey is LKELZXKVVBWJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFNO4/c1-19(2,3)26-16(24)11-22(12-6-4-7-13(23)10-12)18(25)17-14(20)8-5-9-15(17)21/h4-10,23H,11H2,1-3H3.
What are the key properties of tert-butyl 2-(N-(2-chloro-6-fluorobenzoyl)-3-hydroxyanilino)acetate?
tert-butyl 2-(N-(2-chloro-6-fluorobenzoyl)-3-hydroxyanilino)acetate has a molecular weight of 379.82 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(N-(2-chloro-6-fluorobenzoyl)-3-hydroxyanilino)acetate is sourced from PubChem (CID 59029274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).