(2-fluorophenyl)methyl 2-[(2-phenylacetyl)amino]acetate

C17H16FNO3 — CID 1262752

IUPAC(2-fluorophenyl)methyl 2-[(2-phenylacetyl)amino]acetate
SMILESO=C(Cc1ccccc1)NCC(=O)OCc1ccccc1F
InChIInChI=1S/C17H16FNO3/c18-15-9-5-4-8-14(15)12-22-17(21)11-19-16(20)10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,20)
InChIKeyPMJQFYFIWSLWQC-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.23
Rot. Bonds6

About (2-fluorophenyl)methyl 2-[(2-phenylacetyl)amino]acetate

(2-fluorophenyl)methyl 2-[(2-phenylacetyl)amino]acetate (PubChem CID 1262752) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 2-[(2-phenylacetyl)amino]acetate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 2-[(2-phenylacetyl)amino]acetate
PubChem CID1262752
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC Name(2-fluorophenyl)methyl 2-[(2-phenylacetyl)amino]acetate
SMILESO=C(Cc1ccccc1)NCC(=O)OCc1ccccc1F
InChIInChI=1S/C17H16FNO3/c18-15-9-5-4-8-14(15)12-22-17(21)11-19-16(20)10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,20)
InChIKeyPMJQFYFIWSLWQC-UHFFFAOYSA-N
XLogP2.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 2-[(2-phenylacetyl)amino]acetate?
The IUPAC name of (2-fluorophenyl)methyl 2-[(2-phenylacetyl)amino]acetate (CID 1262752) is (2-fluorophenyl)methyl 2-[(2-phenylacetyl)amino]acetate.
What is the SMILES notation for (2-fluorophenyl)methyl 2-[(2-phenylacetyl)amino]acetate?
The canonical SMILES for (2-fluorophenyl)methyl 2-[(2-phenylacetyl)amino]acetate is O=C(Cc1ccccc1)NCC(=O)OCc1ccccc1F.
What is the InChIKey of (2-fluorophenyl)methyl 2-[(2-phenylacetyl)amino]acetate?
The InChIKey is PMJQFYFIWSLWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3/c18-15-9-5-4-8-14(15)12-22-17(21)11-19-16(20)10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,20).
What are the key properties of (2-fluorophenyl)methyl 2-[(2-phenylacetyl)amino]acetate?
(2-fluorophenyl)methyl 2-[(2-phenylacetyl)amino]acetate has a molecular weight of 301.32 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 2-[(2-phenylacetyl)amino]acetate is sourced from PubChem (CID 1262752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).