methyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate

C16H14FNO4 — CID 973511

IUPACmethyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate
SMILESCOC(=O)COc1cccc(NC(=O)c2ccccc2F)c1
InChIInChI=1S/C16H14FNO4/c1-21-15(19)10-22-12-6-4-5-11(9-12)18-16(20)13-7-2-3-8-14(13)17/h2-9H,10H2,1H3,(H,18,20)
InChIKeyQCNNCSSDWKFWGI-UHFFFAOYSA-N
MW303.29 g/mol
LogP2.63
Rot. Bonds5

About methyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate

methyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate (PubChem CID 973511) has the molecular formula C16H14FNO4 and a molecular weight of 303.29 g/mol. Its IUPAC name is methyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate
PubChem CID973511
Molecular FormulaC16H14FNO4
Molecular Weight303.29 g/mol
Exact Mass303.09
IUPAC Namemethyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate
SMILESCOC(=O)COc1cccc(NC(=O)c2ccccc2F)c1
InChIInChI=1S/C16H14FNO4/c1-21-15(19)10-22-12-6-4-5-11(9-12)18-16(20)13-7-2-3-8-14(13)17/h2-9H,10H2,1H3,(H,18,20)
InChIKeyQCNNCSSDWKFWGI-UHFFFAOYSA-N
XLogP2.63
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate?
The IUPAC name of methyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate (CID 973511) is methyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate?
The canonical SMILES for methyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate is COC(=O)COc1cccc(NC(=O)c2ccccc2F)c1.
What is the InChIKey of methyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate?
The InChIKey is QCNNCSSDWKFWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO4/c1-21-15(19)10-22-12-6-4-5-11(9-12)18-16(20)13-7-2-3-8-14(13)17/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of methyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate?
methyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate has a molecular weight of 303.29 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate is sourced from PubChem (CID 973511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).