methyl 4-[[(3-fluorobenzoyl)amino]methyl]benzoate

C16H14FNO3 — CID 2417144

IUPACmethyl 4-[[(3-fluorobenzoyl)amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C16H14FNO3/c1-21-16(20)12-7-5-11(6-8-12)10-18-15(19)13-3-2-4-14(17)9-13/h2-9H,10H2,1H3,(H,18,19)
InChIKeyBLBFBGJSRGQPTF-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.54
Rot. Bonds4

About methyl 4-[[(3-fluorobenzoyl)amino]methyl]benzoate

methyl 4-[[(3-fluorobenzoyl)amino]methyl]benzoate (PubChem CID 2417144) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is methyl 4-[[(3-fluorobenzoyl)amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(3-fluorobenzoyl)amino]methyl]benzoate
PubChem CID2417144
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Namemethyl 4-[[(3-fluorobenzoyl)amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C16H14FNO3/c1-21-16(20)12-7-5-11(6-8-12)10-18-15(19)13-3-2-4-14(17)9-13/h2-9H,10H2,1H3,(H,18,19)
InChIKeyBLBFBGJSRGQPTF-UHFFFAOYSA-N
XLogP2.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(3-fluorobenzoyl)amino]methyl]benzoate?
The IUPAC name of methyl 4-[[(3-fluorobenzoyl)amino]methyl]benzoate (CID 2417144) is methyl 4-[[(3-fluorobenzoyl)amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[(3-fluorobenzoyl)amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[(3-fluorobenzoyl)amino]methyl]benzoate is COC(=O)c1ccc(CNC(=O)c2cccc(F)c2)cc1.
What is the InChIKey of methyl 4-[[(3-fluorobenzoyl)amino]methyl]benzoate?
The InChIKey is BLBFBGJSRGQPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c1-21-16(20)12-7-5-11(6-8-12)10-18-15(19)13-3-2-4-14(17)9-13/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of methyl 4-[[(3-fluorobenzoyl)amino]methyl]benzoate?
methyl 4-[[(3-fluorobenzoyl)amino]methyl]benzoate has a molecular weight of 287.29 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(3-fluorobenzoyl)amino]methyl]benzoate is sourced from PubChem (CID 2417144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).