methyl 2-[(2-fluorobenzoyl)amino]benzoate

C15H12FNO3 — CID 785080

IUPACmethyl 2-[(2-fluorobenzoyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccccc1F
InChIInChI=1S/C15H12FNO3/c1-20-15(19)11-7-3-5-9-13(11)17-14(18)10-6-2-4-8-12(10)16/h2-9H,1H3,(H,17,18)
InChIKeyDDHRPGFXSVENTR-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.86
Rot. Bonds3

About methyl 2-[(2-fluorobenzoyl)amino]benzoate

methyl 2-[(2-fluorobenzoyl)amino]benzoate (PubChem CID 785080) has the molecular formula C15H12FNO3 and a molecular weight of 273.26 g/mol. Its IUPAC name is methyl 2-[(2-fluorobenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-fluorobenzoyl)amino]benzoate
PubChem CID785080
Molecular FormulaC15H12FNO3
Molecular Weight273.26 g/mol
Exact Mass273.08
IUPAC Namemethyl 2-[(2-fluorobenzoyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccccc1F
InChIInChI=1S/C15H12FNO3/c1-20-15(19)11-7-3-5-9-13(11)17-14(18)10-6-2-4-8-12(10)16/h2-9H,1H3,(H,17,18)
InChIKeyDDHRPGFXSVENTR-UHFFFAOYSA-N
XLogP2.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-fluorobenzoyl)amino]benzoate?
The IUPAC name of methyl 2-[(2-fluorobenzoyl)amino]benzoate (CID 785080) is methyl 2-[(2-fluorobenzoyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(2-fluorobenzoyl)amino]benzoate?
The canonical SMILES for methyl 2-[(2-fluorobenzoyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1ccccc1F.
What is the InChIKey of methyl 2-[(2-fluorobenzoyl)amino]benzoate?
The InChIKey is DDHRPGFXSVENTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO3/c1-20-15(19)11-7-3-5-9-13(11)17-14(18)10-6-2-4-8-12(10)16/h2-9H,1H3,(H,17,18).
What are the key properties of methyl 2-[(2-fluorobenzoyl)amino]benzoate?
methyl 2-[(2-fluorobenzoyl)amino]benzoate has a molecular weight of 273.26 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-fluorobenzoyl)amino]benzoate is sourced from PubChem (CID 785080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).