2-methylpropyl 2-(3-hydroxy-N-(2,4,6-trifluorobenzoyl)anilino)acetate

C19H18F3NO4 — CID 143091177

IUPAC2-methylpropyl 2-(3-hydroxy-N-(2,4,6-trifluorobenzoyl)anilino)acetate
SMILESCC(C)COC(=O)CN(C(=O)c1c(F)cc(F)cc1F)c1cccc(O)c1
InChIInChI=1S/C19H18F3NO4/c1-11(2)10-27-17(25)9-23(13-4-3-5-14(24)8-13)19(26)18-15(21)6-12(20)7-16(18)22/h3-8,11,24H,9-10H2,1-2H3
InChIKeyOIHKQCLLGPULLD-UHFFFAOYSA-N
MW381.35 g/mol
LogP3.66
Rot. Bonds6

About 2-methylpropyl 2-(3-hydroxy-N-(2,4,6-trifluorobenzoyl)anilino)acetate

2-methylpropyl 2-(3-hydroxy-N-(2,4,6-trifluorobenzoyl)anilino)acetate (PubChem CID 143091177) has the molecular formula C19H18F3NO4 and a molecular weight of 381.35 g/mol. Its IUPAC name is 2-methylpropyl 2-(3-hydroxy-N-(2,4,6-trifluorobenzoyl)anilino)acetate.

Molecular Properties

Compound Name2-methylpropyl 2-(3-hydroxy-N-(2,4,6-trifluorobenzoyl)anilino)acetate
PubChem CID143091177
Molecular FormulaC19H18F3NO4
Molecular Weight381.35 g/mol
Exact Mass381.12
IUPAC Name2-methylpropyl 2-(3-hydroxy-N-(2,4,6-trifluorobenzoyl)anilino)acetate
SMILESCC(C)COC(=O)CN(C(=O)c1c(F)cc(F)cc1F)c1cccc(O)c1
InChIInChI=1S/C19H18F3NO4/c1-11(2)10-27-17(25)9-23(13-4-3-5-14(24)8-13)19(26)18-15(21)6-12(20)7-16(18)22/h3-8,11,24H,9-10H2,1-2H3
InChIKeyOIHKQCLLGPULLD-UHFFFAOYSA-N
XLogP3.66
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-difluoro-N-(2-hydroxyphenyl)-N-pentylbenzamide
CID 135069724
(4-Fluorophenyl)-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone
CID 10780564
tert-butyl 2-(3-hydroxy-N-(2,4,6-trifluorobenzoyl)anilino)acetate
CID 11428965
2-fluoro-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 21303880
[2-(N-acetyl-2-hydroxyanilino)acetyl] 2-[[3-(trifluoromethyl)benzoyl]amino]acetate
CID 56985273
tert-butyl 2-(3-phenoxy-N-(2,4,6-trifluorobenzoyl)anilino)acetate
CID 59029183
tert-butyl 2-[N-(2,4,6-trifluorobenzoyl)-3-(trifluoromethoxy)anilino]acetate
CID 59029202
2-[4-[[3-[(2,6-Difluorobenzoyl)-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenoxy]methyl]phenyl]acetic acid
CID 59029208
tert-butyl 2-[N-(2,6-difluorobenzoyl)-3-(4-hydroxyphenyl)anilino]acetate
CID 59029214
tert-butyl 2-[N-(2,6-difluorobenzoyl)-3-(2-hydroxyphenyl)anilino]acetate
CID 59029216
tert-butyl 2-[N-(2,6-difluorobenzoyl)-3-[(3-methoxyphenyl)methoxy]anilino]acetate
CID 59029218
tert-butyl 2-[N-(2,6-difluorobenzoyl)-3-(3-hydroxyphenyl)anilino]acetate
CID 59029227

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-(3-hydroxy-N-(2,4,6-trifluorobenzoyl)anilino)acetate?
The IUPAC name of 2-methylpropyl 2-(3-hydroxy-N-(2,4,6-trifluorobenzoyl)anilino)acetate (CID 143091177) is 2-methylpropyl 2-(3-hydroxy-N-(2,4,6-trifluorobenzoyl)anilino)acetate.
What is the SMILES notation for 2-methylpropyl 2-(3-hydroxy-N-(2,4,6-trifluorobenzoyl)anilino)acetate?
The canonical SMILES for 2-methylpropyl 2-(3-hydroxy-N-(2,4,6-trifluorobenzoyl)anilino)acetate is CC(C)COC(=O)CN(C(=O)c1c(F)cc(F)cc1F)c1cccc(O)c1.
What is the InChIKey of 2-methylpropyl 2-(3-hydroxy-N-(2,4,6-trifluorobenzoyl)anilino)acetate?
The InChIKey is OIHKQCLLGPULLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO4/c1-11(2)10-27-17(25)9-23(13-4-3-5-14(24)8-13)19(26)18-15(21)6-12(20)7-16(18)22/h3-8,11,24H,9-10H2,1-2H3.
What are the key properties of 2-methylpropyl 2-(3-hydroxy-N-(2,4,6-trifluorobenzoyl)anilino)acetate?
2-methylpropyl 2-(3-hydroxy-N-(2,4,6-trifluorobenzoyl)anilino)acetate has a molecular weight of 381.35 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-(3-hydroxy-N-(2,4,6-trifluorobenzoyl)anilino)acetate is sourced from PubChem (CID 143091177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).