(4-methylphenyl)methyl 2-[(2-fluorobenzoyl)amino]acetate

C17H16FNO3 — CID 2601985

IUPAC(4-methylphenyl)methyl 2-[(2-fluorobenzoyl)amino]acetate
SMILESCc1ccc(COC(=O)CNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C17H16FNO3/c1-12-6-8-13(9-7-12)11-22-16(20)10-19-17(21)14-4-2-3-5-15(14)18/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyUXBKZERZOFCSQX-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.61
Rot. Bonds5

About (4-methylphenyl)methyl 2-[(2-fluorobenzoyl)amino]acetate

(4-methylphenyl)methyl 2-[(2-fluorobenzoyl)amino]acetate (PubChem CID 2601985) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is (4-methylphenyl)methyl 2-[(2-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name(4-methylphenyl)methyl 2-[(2-fluorobenzoyl)amino]acetate
PubChem CID2601985
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC Name(4-methylphenyl)methyl 2-[(2-fluorobenzoyl)amino]acetate
SMILESCc1ccc(COC(=O)CNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C17H16FNO3/c1-12-6-8-13(9-7-12)11-22-16(20)10-19-17(21)14-4-2-3-5-15(14)18/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyUXBKZERZOFCSQX-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dichlorophenyl)methyl 2-[(2-fluorobenzoyl)amino]acetate
CID 31864850
3-[2-[(2-fluorobenzoyl)amino]acetyl]oxypropyl 2-[(2-fluorobenzoyl)amino]acetate
CID 18286992
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270254
(3,3-dimethyl-2-oxobutyl) 2-[(2-fluorobenzoyl)amino]acetate
CID 9270451
2-fluoro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 3424482
hexadecyl 2-[(2-fluorobenzoyl)amino]acetate
CID 6422554
octyl 2-[(2-fluorobenzoyl)amino]acetate
CID 6422546
heptadecyl 2-[(2-fluorobenzoyl)amino]acetate
CID 6422555
phenacyl 2-[(2-fluorobenzoyl)amino]acetate
CID 2357812
benzyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
CID 36949186
(4-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807819
2-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide
CID 82723711

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl 2-[(2-fluorobenzoyl)amino]acetate?
The IUPAC name of (4-methylphenyl)methyl 2-[(2-fluorobenzoyl)amino]acetate (CID 2601985) is (4-methylphenyl)methyl 2-[(2-fluorobenzoyl)amino]acetate.
What is the SMILES notation for (4-methylphenyl)methyl 2-[(2-fluorobenzoyl)amino]acetate?
The canonical SMILES for (4-methylphenyl)methyl 2-[(2-fluorobenzoyl)amino]acetate is Cc1ccc(COC(=O)CNC(=O)c2ccccc2F)cc1.
What is the InChIKey of (4-methylphenyl)methyl 2-[(2-fluorobenzoyl)amino]acetate?
The InChIKey is UXBKZERZOFCSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3/c1-12-6-8-13(9-7-12)11-22-16(20)10-19-17(21)14-4-2-3-5-15(14)18/h2-9H,10-11H2,1H3,(H,19,21).
What are the key properties of (4-methylphenyl)methyl 2-[(2-fluorobenzoyl)amino]acetate?
(4-methylphenyl)methyl 2-[(2-fluorobenzoyl)amino]acetate has a molecular weight of 301.32 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl 2-[(2-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 2601985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).