methyl 3-(2-fluoroanilino)-2-phenylpropanoate

C16H16FNO2 — CID 64564790

IUPACmethyl 3-(2-fluoroanilino)-2-phenylpropanoate
SMILESCOC(=O)C(CNc1ccccc1F)c1ccccc1
InChIInChI=1S/C16H16FNO2/c1-20-16(19)13(12-7-3-2-4-8-12)11-18-15-10-6-5-9-14(15)17/h2-10,13,18H,11H2,1H3
InChIKeyUXVKLONFDNQNEV-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.19
Rot. Bonds5

About methyl 3-(2-fluoroanilino)-2-phenylpropanoate

methyl 3-(2-fluoroanilino)-2-phenylpropanoate (PubChem CID 64564790) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is methyl 3-(2-fluoroanilino)-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-(2-fluoroanilino)-2-phenylpropanoate
PubChem CID64564790
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Namemethyl 3-(2-fluoroanilino)-2-phenylpropanoate
SMILESCOC(=O)C(CNc1ccccc1F)c1ccccc1
InChIInChI=1S/C16H16FNO2/c1-20-16(19)13(12-7-3-2-4-8-12)11-18-15-10-6-5-9-14(15)17/h2-10,13,18H,11H2,1H3
InChIKeyUXVKLONFDNQNEV-UHFFFAOYSA-N
XLogP3.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-fluoroanilino)-2-phenylpropanoate?
The IUPAC name of methyl 3-(2-fluoroanilino)-2-phenylpropanoate (CID 64564790) is methyl 3-(2-fluoroanilino)-2-phenylpropanoate.
What is the SMILES notation for methyl 3-(2-fluoroanilino)-2-phenylpropanoate?
The canonical SMILES for methyl 3-(2-fluoroanilino)-2-phenylpropanoate is COC(=O)C(CNc1ccccc1F)c1ccccc1.
What is the InChIKey of methyl 3-(2-fluoroanilino)-2-phenylpropanoate?
The InChIKey is UXVKLONFDNQNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-20-16(19)13(12-7-3-2-4-8-12)11-18-15-10-6-5-9-14(15)17/h2-10,13,18H,11H2,1H3.
What are the key properties of methyl 3-(2-fluoroanilino)-2-phenylpropanoate?
methyl 3-(2-fluoroanilino)-2-phenylpropanoate has a molecular weight of 273.31 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-fluoroanilino)-2-phenylpropanoate is sourced from PubChem (CID 64564790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).