methyl 3-(2,6-difluoroanilino)-2-phenylpropanoate

C16H15F2NO2 — CID 64565029

IUPACmethyl 3-(2,6-difluoroanilino)-2-phenylpropanoate
SMILESCOC(=O)C(CNc1c(F)cccc1F)c1ccccc1
InChIInChI=1S/C16H15F2NO2/c1-21-16(20)12(11-6-3-2-4-7-11)10-19-15-13(17)8-5-9-14(15)18/h2-9,12,19H,10H2,1H3
InChIKeyJILXTNUCDHSRBM-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.33
Rot. Bonds5

About methyl 3-(2,6-difluoroanilino)-2-phenylpropanoate

methyl 3-(2,6-difluoroanilino)-2-phenylpropanoate (PubChem CID 64565029) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is methyl 3-(2,6-difluoroanilino)-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-(2,6-difluoroanilino)-2-phenylpropanoate
PubChem CID64565029
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Namemethyl 3-(2,6-difluoroanilino)-2-phenylpropanoate
SMILESCOC(=O)C(CNc1c(F)cccc1F)c1ccccc1
InChIInChI=1S/C16H15F2NO2/c1-21-16(20)12(11-6-3-2-4-7-11)10-19-15-13(17)8-5-9-14(15)18/h2-9,12,19H,10H2,1H3
InChIKeyJILXTNUCDHSRBM-UHFFFAOYSA-N
XLogP3.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(5-chloro-2-fluoroanilino)-2-phenylpropanoate
CID 64566464
methyl 3-(4-chloro-2-fluoroanilino)-2-phenylpropanoate
CID 64561132
methyl 3-(4-fluoro-2-iodoanilino)-2-phenylpropanoate
CID 79759348
methyl 3-(4-methylanilino)-2-phenylpropanoate
CID 64567482
methyl 3-(4-methylsulfanylanilino)-2-phenylpropanoate
CID 64565618
methyl 3-(3-chloroanilino)-2-phenylpropanoate
CID 64565623
methyl (2R)-3-amino-2-phenylpropanoate
CID 7183129
methyl 4-amino-2-phenylbutanoate;hydrochloride
CID 66905089
methyl 2-phenyl-3-[4-(trifluoromethylsulfonyl)anilino]propanoate
CID 71871507
3-(2,6-difluoroanilino)-2-methylpropanamide
CID 43312157
methyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-phenylpropanoate
CID 106275985
methyl 4-amino-2-phenylpentanoate
CID 57041145

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,6-difluoroanilino)-2-phenylpropanoate?
The IUPAC name of methyl 3-(2,6-difluoroanilino)-2-phenylpropanoate (CID 64565029) is methyl 3-(2,6-difluoroanilino)-2-phenylpropanoate.
What is the SMILES notation for methyl 3-(2,6-difluoroanilino)-2-phenylpropanoate?
The canonical SMILES for methyl 3-(2,6-difluoroanilino)-2-phenylpropanoate is COC(=O)C(CNc1c(F)cccc1F)c1ccccc1.
What is the InChIKey of methyl 3-(2,6-difluoroanilino)-2-phenylpropanoate?
The InChIKey is JILXTNUCDHSRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-21-16(20)12(11-6-3-2-4-7-11)10-19-15-13(17)8-5-9-14(15)18/h2-9,12,19H,10H2,1H3.
What are the key properties of methyl 3-(2,6-difluoroanilino)-2-phenylpropanoate?
methyl 3-(2,6-difluoroanilino)-2-phenylpropanoate has a molecular weight of 291.30 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,6-difluoroanilino)-2-phenylpropanoate is sourced from PubChem (CID 64565029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).