methyl 2-fluoro-6-[3-fluoro-4-[[(3-methylbenzoyl)amino]methyl]phenyl]benzoate

C23H19F2NO3 — CID 11531335

IUPACmethyl 2-fluoro-6-[3-fluoro-4-[[(3-methylbenzoyl)amino]methyl]phenyl]benzoate
SMILESCOC(=O)c1c(F)cccc1-c1ccc(CNC(=O)c2cccc(C)c2)c(F)c1
InChIInChI=1S/C23H19F2NO3/c1-14-5-3-6-16(11-14)22(27)26-13-17-10-9-15(12-20(17)25)18-7-4-8-19(24)21(18)23(28)29-2/h3-12H,13H2,1-2H3,(H,26,27)
InChIKeyRWZYBHCQVTULGR-UHFFFAOYSA-N
MW395.41 g/mol
LogP4.66
Rot. Bonds5

About methyl 2-fluoro-6-[3-fluoro-4-[[(3-methylbenzoyl)amino]methyl]phenyl]benzoate

methyl 2-fluoro-6-[3-fluoro-4-[[(3-methylbenzoyl)amino]methyl]phenyl]benzoate (PubChem CID 11531335) has the molecular formula C23H19F2NO3 and a molecular weight of 395.41 g/mol. Its IUPAC name is methyl 2-fluoro-6-[3-fluoro-4-[[(3-methylbenzoyl)amino]methyl]phenyl]benzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-6-[3-fluoro-4-[[(3-methylbenzoyl)amino]methyl]phenyl]benzoate
PubChem CID11531335
Molecular FormulaC23H19F2NO3
Molecular Weight395.41 g/mol
Exact Mass395.13
IUPAC Namemethyl 2-fluoro-6-[3-fluoro-4-[[(3-methylbenzoyl)amino]methyl]phenyl]benzoate
SMILESCOC(=O)c1c(F)cccc1-c1ccc(CNC(=O)c2cccc(C)c2)c(F)c1
InChIInChI=1S/C23H19F2NO3/c1-14-5-3-6-16(11-14)22(27)26-13-17-10-9-15(12-20(17)25)18-7-4-8-19(24)21(18)23(28)29-2/h3-12H,13H2,1-2H3,(H,26,27)
InChIKeyRWZYBHCQVTULGR-UHFFFAOYSA-N
XLogP4.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-6-[3-fluoro-4-[[(3-methylbenzoyl)amino]methyl]phenyl]benzoate?
The IUPAC name of methyl 2-fluoro-6-[3-fluoro-4-[[(3-methylbenzoyl)amino]methyl]phenyl]benzoate (CID 11531335) is methyl 2-fluoro-6-[3-fluoro-4-[[(3-methylbenzoyl)amino]methyl]phenyl]benzoate.
What is the SMILES notation for methyl 2-fluoro-6-[3-fluoro-4-[[(3-methylbenzoyl)amino]methyl]phenyl]benzoate?
The canonical SMILES for methyl 2-fluoro-6-[3-fluoro-4-[[(3-methylbenzoyl)amino]methyl]phenyl]benzoate is COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)c2cccc(C)c2)c(F)c1.
What is the InChIKey of methyl 2-fluoro-6-[3-fluoro-4-[[(3-methylbenzoyl)amino]methyl]phenyl]benzoate?
The InChIKey is RWZYBHCQVTULGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2NO3/c1-14-5-3-6-16(11-14)22(27)26-13-17-10-9-15(12-20(17)25)18-7-4-8-19(24)21(18)23(28)29-2/h3-12H,13H2,1-2H3,(H,26,27).
What are the key properties of methyl 2-fluoro-6-[3-fluoro-4-[[(3-methylbenzoyl)amino]methyl]phenyl]benzoate?
methyl 2-fluoro-6-[3-fluoro-4-[[(3-methylbenzoyl)amino]methyl]phenyl]benzoate has a molecular weight of 395.41 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-6-[3-fluoro-4-[[(3-methylbenzoyl)amino]methyl]phenyl]benzoate is sourced from PubChem (CID 11531335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).