(2-methylphenyl) 2-[[2-(4-fluorophenyl)acetyl]amino]acetate

C17H16FNO3 — CID 110670271

IUPAC(2-methylphenyl) 2-[[2-(4-fluorophenyl)acetyl]amino]acetate
SMILESCc1ccccc1OC(=O)CNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C17H16FNO3/c1-12-4-2-3-5-15(12)22-17(21)11-19-16(20)10-13-6-8-14(18)9-7-13/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyOGOJHSMSLGRAIT-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.40
Rot. Bonds5

About (2-methylphenyl) 2-[[2-(4-fluorophenyl)acetyl]amino]acetate

(2-methylphenyl) 2-[[2-(4-fluorophenyl)acetyl]amino]acetate (PubChem CID 110670271) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is (2-methylphenyl) 2-[[2-(4-fluorophenyl)acetyl]amino]acetate.

Molecular Properties

Compound Name(2-methylphenyl) 2-[[2-(4-fluorophenyl)acetyl]amino]acetate
PubChem CID110670271
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC Name(2-methylphenyl) 2-[[2-(4-fluorophenyl)acetyl]amino]acetate
SMILESCc1ccccc1OC(=O)CNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C17H16FNO3/c1-12-4-2-3-5-15(12)22-17(21)11-19-16(20)10-13-6-8-14(18)9-7-13/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyOGOJHSMSLGRAIT-UHFFFAOYSA-N
XLogP2.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.40
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

(2-methylphenyl) 2-(propanoylamino)acetate
CID 110670244
(2-methylphenyl) 2-[[2-(3-chlorophenyl)acetyl]amino]acetate
CID 110670302
(4-fluorophenyl) 2-[(2-phenylacetyl)amino]acetate
CID 174646519
(2-methoxyphenyl) 2-[[2-(4-methylphenyl)acetyl]amino]acetate
CID 110670984
(3-ethylphenyl) 2-[[2-(4-fluorophenyl)acetyl]amino]acetate
CID 110670877
2-(4-fluorophenyl)-N-(3-methyl-2-oxobutyl)acetamide
CID 64996810
(2-methylphenyl) 2-[(4-chlorobenzoyl)amino]acetate
CID 110670281
(2-methylphenyl) 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate
CID 110670277
(2-methylphenyl) 2-[[4-(dimethylamino)benzoyl]amino]acetate
CID 110670232
(2-methylphenyl) 2-(3-thiophen-2-ylpropanoylamino)acetate
CID 110670291
2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183
ethyl 3-[[2-(4-fluorophenyl)acetyl]amino]-2-oxopropanoate
CID 159126386

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl) 2-[[2-(4-fluorophenyl)acetyl]amino]acetate?
The IUPAC name of (2-methylphenyl) 2-[[2-(4-fluorophenyl)acetyl]amino]acetate (CID 110670271) is (2-methylphenyl) 2-[[2-(4-fluorophenyl)acetyl]amino]acetate.
What is the SMILES notation for (2-methylphenyl) 2-[[2-(4-fluorophenyl)acetyl]amino]acetate?
The canonical SMILES for (2-methylphenyl) 2-[[2-(4-fluorophenyl)acetyl]amino]acetate is Cc1ccccc1OC(=O)CNC(=O)Cc1ccc(F)cc1.
What is the InChIKey of (2-methylphenyl) 2-[[2-(4-fluorophenyl)acetyl]amino]acetate?
The InChIKey is OGOJHSMSLGRAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3/c1-12-4-2-3-5-15(12)22-17(21)11-19-16(20)10-13-6-8-14(18)9-7-13/h2-9H,10-11H2,1H3,(H,19,20).
What are the key properties of (2-methylphenyl) 2-[[2-(4-fluorophenyl)acetyl]amino]acetate?
(2-methylphenyl) 2-[[2-(4-fluorophenyl)acetyl]amino]acetate has a molecular weight of 301.32 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl) 2-[[2-(4-fluorophenyl)acetyl]amino]acetate is sourced from PubChem (CID 110670271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).