methyl 4-[[[2-(trifluoromethyl)benzoyl]amino]methyl]benzoate

C17H14F3NO3 — CID 4813400

IUPACmethyl 4-[[[2-(trifluoromethyl)benzoyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C17H14F3NO3/c1-24-16(23)12-8-6-11(7-9-12)10-21-15(22)13-4-2-3-5-14(13)17(18,19)20/h2-9H,10H2,1H3,(H,21,22)
InChIKeyCFQLYLZNHYEJRZ-UHFFFAOYSA-N
MW337.30 g/mol
LogP3.42
Rot. Bonds4

About methyl 4-[[[2-(trifluoromethyl)benzoyl]amino]methyl]benzoate

methyl 4-[[[2-(trifluoromethyl)benzoyl]amino]methyl]benzoate (PubChem CID 4813400) has the molecular formula C17H14F3NO3 and a molecular weight of 337.30 g/mol. Its IUPAC name is methyl 4-[[[2-(trifluoromethyl)benzoyl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[[2-(trifluoromethyl)benzoyl]amino]methyl]benzoate
PubChem CID4813400
Molecular FormulaC17H14F3NO3
Molecular Weight337.30 g/mol
Exact Mass337.09
IUPAC Namemethyl 4-[[[2-(trifluoromethyl)benzoyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C17H14F3NO3/c1-24-16(23)12-8-6-11(7-9-12)10-21-15(22)13-4-2-3-5-14(13)17(18,19)20/h2-9H,10H2,1H3,(H,21,22)
InChIKeyCFQLYLZNHYEJRZ-UHFFFAOYSA-N
XLogP3.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[2-(trifluoromethyl)benzoyl]amino]methyl]benzoate?
The IUPAC name of methyl 4-[[[2-(trifluoromethyl)benzoyl]amino]methyl]benzoate (CID 4813400) is methyl 4-[[[2-(trifluoromethyl)benzoyl]amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[[2-(trifluoromethyl)benzoyl]amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[[2-(trifluoromethyl)benzoyl]amino]methyl]benzoate is COC(=O)c1ccc(CNC(=O)c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of methyl 4-[[[2-(trifluoromethyl)benzoyl]amino]methyl]benzoate?
The InChIKey is CFQLYLZNHYEJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO3/c1-24-16(23)12-8-6-11(7-9-12)10-21-15(22)13-4-2-3-5-14(13)17(18,19)20/h2-9H,10H2,1H3,(H,21,22).
What are the key properties of methyl 4-[[[2-(trifluoromethyl)benzoyl]amino]methyl]benzoate?
methyl 4-[[[2-(trifluoromethyl)benzoyl]amino]methyl]benzoate has a molecular weight of 337.30 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[2-(trifluoromethyl)benzoyl]amino]methyl]benzoate is sourced from PubChem (CID 4813400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).