methyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate

C16H14FNO4 — CID 7834630

IUPACmethyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COc2cccc(F)c2)cc1
InChIInChI=1S/C16H14FNO4/c1-21-16(20)11-5-7-13(8-6-11)18-15(19)10-22-14-4-2-3-12(17)9-14/h2-9H,10H2,1H3,(H,18,19)
InChIKeyBWKSGFBOPMHHEN-UHFFFAOYSA-N
MW303.29 g/mol
LogP2.63
Rot. Bonds5

About methyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate

methyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate (PubChem CID 7834630) has the molecular formula C16H14FNO4 and a molecular weight of 303.29 g/mol. Its IUPAC name is methyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate
PubChem CID7834630
Molecular FormulaC16H14FNO4
Molecular Weight303.29 g/mol
Exact Mass303.09
IUPAC Namemethyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COc2cccc(F)c2)cc1
InChIInChI=1S/C16H14FNO4/c1-21-16(20)11-5-7-13(8-6-11)18-15(19)10-22-14-4-2-3-12(17)9-14/h2-9H,10H2,1H3,(H,18,19)
InChIKeyBWKSGFBOPMHHEN-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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Related Compounds

ethyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate
CID 26636676
methyl 4-[[2-(3-iodophenoxy)acetyl]amino]benzoate
CID 7694499
2-(3-fluorophenoxy)-N-phenylacetamide
CID 2709732
2-(3-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 2709796
N-(3,5-dimethoxyphenyl)-2-(3-fluorophenoxy)acetamide
CID 16545555
methyl 4-[(Z)-[[2-(3-fluorophenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 9242023
N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)acetamide
CID 2711600
N-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenoxy)acetamide
CID 2709478
2-(3-ethylphenoxy)-N-(3-fluorophenyl)acetamide
CID 2709979
propyl 4-[[2-(3-methoxyphenoxy)acetyl]amino]benzoate
CID 19204042
2-[3-[2-(4-methoxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 71417144
3-[2-(4-fluoroanilino)-2-oxoethoxy]benzoic acid
CID 900818

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate (CID 7834630) is methyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)COc2cccc(F)c2)cc1.
What is the InChIKey of methyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate?
The InChIKey is BWKSGFBOPMHHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO4/c1-21-16(20)11-5-7-13(8-6-11)18-15(19)10-22-14-4-2-3-12(17)9-14/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of methyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate?
methyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate 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 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 7834630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).