[(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate

C17H14Cl2FNO4 — CID 8975876

IUPAC[(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate
SMILESCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2c(Cl)cccc2Cl)c(F)c1
InChIInChI=1S/C17H14Cl2FNO4/c1-9(16(22)21-15-12(18)4-3-5-13(15)19)25-17(23)11-7-6-10(24-2)8-14(11)20/h3-9H,1-2H3,(H,21,22)/t9-/m1/s1
InChIKeyXKZOIGSGXAXNRB-SECBINFHSA-N
MW386.21 g/mol
LogP4.33
Rot. Bonds5

About [(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate

[(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate (PubChem CID 8975876) has the molecular formula C17H14Cl2FNO4 and a molecular weight of 386.21 g/mol. Its IUPAC name is [(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate.

Molecular Properties

Compound Name[(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate
PubChem CID8975876
Molecular FormulaC17H14Cl2FNO4
Molecular Weight386.21 g/mol
Exact Mass385.03
IUPAC Name[(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate
SMILESCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2c(Cl)cccc2Cl)c(F)c1
InChIInChI=1S/C17H14Cl2FNO4/c1-9(16(22)21-15-12(18)4-3-5-13(15)19)25-17(23)11-7-6-10(24-2)8-14(11)20/h3-9H,1-2H3,(H,21,22)/t9-/m1/s1
InChIKeyXKZOIGSGXAXNRB-SECBINFHSA-N
XLogP4.33
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.21
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate
CID 7887625
[1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2,4-dimethoxybenzoate
CID 46619956
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate
CID 7490933
[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-fluoro-4-methoxybenzoate
CID 7887840
[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-hydroxy-5-methoxybenzoate
CID 40882857
[(2S)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-fluoro-4-methoxybenzoate
CID 8975917
[(2R)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate
CID 8976099
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate
CID 7887835
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate
CID 8509276
[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate
CID 8976234
[(2R)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate
CID 8975987
[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate
CID 8975813

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate?
The IUPAC name of [(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate (CID 8975876) is [(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate.
What is the SMILES notation for [(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate?
The canonical SMILES for [(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate is COc1ccc(C(=O)O[C@H](C)C(=O)Nc2c(Cl)cccc2Cl)c(F)c1.
What is the InChIKey of [(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate?
The InChIKey is XKZOIGSGXAXNRB-SECBINFHSA-N. The full InChI is InChI=1S/C17H14Cl2FNO4/c1-9(16(22)21-15-12(18)4-3-5-13(15)19)25-17(23)11-7-6-10(24-2)8-14(11)20/h3-9H,1-2H3,(H,21,22)/t9-/m1/s1.
What are the key properties of [(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate?
[(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate has a molecular weight of 386.21 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate is sourced from PubChem (CID 8975876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).