[1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 3-hydroxynaphthalene-2-carboxylate

C20H15F2NO4 — CID 55417919

IUPAC[1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 3-hydroxynaphthalene-2-carboxylate
SMILESCC(OC(=O)c1cc2ccccc2cc1O)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C20H15F2NO4/c1-11(19(25)23-18-15(21)7-4-8-16(18)22)27-20(26)14-9-12-5-2-3-6-13(12)10-17(14)24/h2-11,24H,1H3,(H,23,25)
InChIKeyBXMYEAIKVTWWBQ-UHFFFAOYSA-N
MW371.34 g/mol
LogP4.01
Rot. Bonds4

About [1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 3-hydroxynaphthalene-2-carboxylate

[1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 3-hydroxynaphthalene-2-carboxylate (PubChem CID 55417919) has the molecular formula C20H15F2NO4 and a molecular weight of 371.34 g/mol. Its IUPAC name is [1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 3-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name[1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 3-hydroxynaphthalene-2-carboxylate
PubChem CID55417919
Molecular FormulaC20H15F2NO4
Molecular Weight371.34 g/mol
Exact Mass371.10
IUPAC Name[1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 3-hydroxynaphthalene-2-carboxylate
SMILESCC(OC(=O)c1cc2ccccc2cc1O)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C20H15F2NO4/c1-11(19(25)23-18-15(21)7-4-8-16(18)22)27-20(26)14-9-12-5-2-3-6-13(12)10-17(14)24/h2-11,24H,1H3,(H,23,25)
InChIKeyBXMYEAIKVTWWBQ-UHFFFAOYSA-N
XLogP4.01
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.34
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-hydroxy-5-methoxybenzoate
CID 40882857
[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 3-hydroxynaphthalene-2-carboxylate
CID 40651403
[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-hydroxynaphthalene-2-carboxylate
CID 7485921
[1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 3-hydroxynaphthalene-2-carboxylate
CID 46619683
[1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2,4-dimethoxybenzoate
CID 46619956
(2S)-N-(2,6-difluorophenyl)-2-naphthalen-2-yloxypropanamide
CID 42561465
[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl] 3-hydroxynaphthalene-2-carboxylate
CID 7891463
[(2S)-1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 3-hydroxynaphthalene-2-carboxylate
CID 2380117
[1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate
CID 46629660
[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate
CID 8944406
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 5-bromo-2-hydroxybenzoate
CID 7786327
[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(2-cyanophenyl)benzoate
CID 9309839

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 3-hydroxynaphthalene-2-carboxylate?
The IUPAC name of [1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 3-hydroxynaphthalene-2-carboxylate (CID 55417919) is [1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 3-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for [1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 3-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for [1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 3-hydroxynaphthalene-2-carboxylate is CC(OC(=O)c1cc2ccccc2cc1O)C(=O)Nc1c(F)cccc1F.
What is the InChIKey of [1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 3-hydroxynaphthalene-2-carboxylate?
The InChIKey is BXMYEAIKVTWWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2NO4/c1-11(19(25)23-18-15(21)7-4-8-16(18)22)27-20(26)14-9-12-5-2-3-6-13(12)10-17(14)24/h2-11,24H,1H3,(H,23,25).
What are the key properties of [1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 3-hydroxynaphthalene-2-carboxylate?
[1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 3-hydroxynaphthalene-2-carboxylate has a molecular weight of 371.34 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 3-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 55417919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).