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

C16H14FNO3 — CID 174646519

IUPAC(4-fluorophenyl) 2-[(2-phenylacetyl)amino]acetate
SMILESO=C(Cc1ccccc1)NCC(=O)Oc1ccc(F)cc1
InChIInChI=1S/C16H14FNO3/c17-13-6-8-14(9-7-13)21-16(20)11-18-15(19)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19)
InChIKeyPGKMJNWFCIGBAA-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.09
Rot. Bonds5

About (4-fluorophenyl) 2-[(2-phenylacetyl)amino]acetate

(4-fluorophenyl) 2-[(2-phenylacetyl)amino]acetate (PubChem CID 174646519) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is (4-fluorophenyl) 2-[(2-phenylacetyl)amino]acetate.

Molecular Properties

Compound Name(4-fluorophenyl) 2-[(2-phenylacetyl)amino]acetate
PubChem CID174646519
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name(4-fluorophenyl) 2-[(2-phenylacetyl)amino]acetate
SMILESO=C(Cc1ccccc1)NCC(=O)Oc1ccc(F)cc1
InChIInChI=1S/C16H14FNO3/c17-13-6-8-14(9-7-13)21-16(20)11-18-15(19)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19)
InChIKeyPGKMJNWFCIGBAA-UHFFFAOYSA-N
XLogP2.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(3-ethylphenyl) 2-[[2-(4-fluorophenyl)acetyl]amino]acetate
CID 110670877
(2-methylphenyl) 2-[[2-(4-fluorophenyl)acetyl]amino]acetate
CID 110670271
N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]-2-phenylacetamide
CID 25403563
(4-fluorophenyl) 3-phenylpropanoate
CID 562084
2-(4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide
CID 112993239
(4-methylphenyl) 2-(3-phenylpropanoylamino)acetate
CID 110670571
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
CID 23345289
1-(4-fluorophenoxy)-3-phenylpropan-2-one
CID 43799903
prop-2-ynyl 2-[(2-phenylacetyl)amino]acetate
CID 47105963
trimethylsilyl 2-[(2-phenylacetyl)amino]acetate
CID 523699
phenyl 2-phenylacetate;zinc
CID 70522084

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) 2-[(2-phenylacetyl)amino]acetate?
The IUPAC name of (4-fluorophenyl) 2-[(2-phenylacetyl)amino]acetate (CID 174646519) is (4-fluorophenyl) 2-[(2-phenylacetyl)amino]acetate.
What is the SMILES notation for (4-fluorophenyl) 2-[(2-phenylacetyl)amino]acetate?
The canonical SMILES for (4-fluorophenyl) 2-[(2-phenylacetyl)amino]acetate is O=C(Cc1ccccc1)NCC(=O)Oc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl) 2-[(2-phenylacetyl)amino]acetate?
The InChIKey is PGKMJNWFCIGBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c17-13-6-8-14(9-7-13)21-16(20)11-18-15(19)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19).
What are the key properties of (4-fluorophenyl) 2-[(2-phenylacetyl)amino]acetate?
(4-fluorophenyl) 2-[(2-phenylacetyl)amino]acetate has a molecular weight of 287.29 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) 2-[(2-phenylacetyl)amino]acetate is sourced from PubChem (CID 174646519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).