methyl 2-methyl-5-[[methyl-[4-(trifluoromethyl)benzoyl]amino]methyl]furan-3-carboxylate

C17H16F3NO4 — CID 31711200

IUPACmethyl 2-methyl-5-[[methyl-[4-(trifluoromethyl)benzoyl]amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)C(=O)c2ccc(C(F)(F)F)cc2)oc1C
InChIInChI=1S/C17H16F3NO4/c1-10-14(16(23)24-3)8-13(25-10)9-21(2)15(22)11-4-6-12(7-5-11)17(18,19)20/h4-8H,9H2,1-3H3
InChIKeyWTKACZXWMHVGIZ-UHFFFAOYSA-N
MW355.31 g/mol
LogP3.67
Rot. Bonds4

About methyl 2-methyl-5-[[methyl-[4-(trifluoromethyl)benzoyl]amino]methyl]furan-3-carboxylate

methyl 2-methyl-5-[[methyl-[4-(trifluoromethyl)benzoyl]amino]methyl]furan-3-carboxylate (PubChem CID 31711200) has the molecular formula C17H16F3NO4 and a molecular weight of 355.31 g/mol. Its IUPAC name is methyl 2-methyl-5-[[methyl-[4-(trifluoromethyl)benzoyl]amino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[[methyl-[4-(trifluoromethyl)benzoyl]amino]methyl]furan-3-carboxylate
PubChem CID31711200
Molecular FormulaC17H16F3NO4
Molecular Weight355.31 g/mol
Exact Mass355.10
IUPAC Namemethyl 2-methyl-5-[[methyl-[4-(trifluoromethyl)benzoyl]amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)C(=O)c2ccc(C(F)(F)F)cc2)oc1C
InChIInChI=1S/C17H16F3NO4/c1-10-14(16(23)24-3)8-13(25-10)9-21(2)15(22)11-4-6-12(7-5-11)17(18,19)20/h4-8H,9H2,1-3H3
InChIKeyWTKACZXWMHVGIZ-UHFFFAOYSA-N
XLogP3.67
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[[methyl-[4-(trifluoromethyl)benzoyl]amino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[[methyl-[4-(trifluoromethyl)benzoyl]amino]methyl]furan-3-carboxylate (CID 31711200) is methyl 2-methyl-5-[[methyl-[4-(trifluoromethyl)benzoyl]amino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[[methyl-[4-(trifluoromethyl)benzoyl]amino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[[methyl-[4-(trifluoromethyl)benzoyl]amino]methyl]furan-3-carboxylate is COC(=O)c1cc(CN(C)C(=O)c2ccc(C(F)(F)F)cc2)oc1C.
What is the InChIKey of methyl 2-methyl-5-[[methyl-[4-(trifluoromethyl)benzoyl]amino]methyl]furan-3-carboxylate?
The InChIKey is WTKACZXWMHVGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO4/c1-10-14(16(23)24-3)8-13(25-10)9-21(2)15(22)11-4-6-12(7-5-11)17(18,19)20/h4-8H,9H2,1-3H3.
What are the key properties of methyl 2-methyl-5-[[methyl-[4-(trifluoromethyl)benzoyl]amino]methyl]furan-3-carboxylate?
methyl 2-methyl-5-[[methyl-[4-(trifluoromethyl)benzoyl]amino]methyl]furan-3-carboxylate has a molecular weight of 355.31 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[[methyl-[4-(trifluoromethyl)benzoyl]amino]methyl]furan-3-carboxylate is sourced from PubChem (CID 31711200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).