methyl 2-formamido-5-morpholin-4-yl-4-(trifluoromethyl)benzoate

C14H15F3N2O4 — CID 143172255

IUPACmethyl 2-formamido-5-morpholin-4-yl-4-(trifluoromethyl)benzoate
SMILESCOC(=O)c1cc(N2CCOCC2)c(C(F)(F)F)cc1NC=O
InChIInChI=1S/C14H15F3N2O4/c1-22-13(21)9-6-12(19-2-4-23-5-3-19)10(14(15,16)17)7-11(9)18-8-20/h6-8H,2-5H2,1H3,(H,18,20)
InChIKeyVMXXBZFKRSTNFQ-UHFFFAOYSA-N
MW332.28 g/mol
LogP1.90
Rot. Bonds4

About methyl 2-formamido-5-morpholin-4-yl-4-(trifluoromethyl)benzoate

methyl 2-formamido-5-morpholin-4-yl-4-(trifluoromethyl)benzoate (PubChem CID 143172255) has the molecular formula C14H15F3N2O4 and a molecular weight of 332.28 g/mol. Its IUPAC name is methyl 2-formamido-5-morpholin-4-yl-4-(trifluoromethyl)benzoate.

Molecular Properties

Compound Namemethyl 2-formamido-5-morpholin-4-yl-4-(trifluoromethyl)benzoate
PubChem CID143172255
Molecular FormulaC14H15F3N2O4
Molecular Weight332.28 g/mol
Exact Mass332.10
IUPAC Namemethyl 2-formamido-5-morpholin-4-yl-4-(trifluoromethyl)benzoate
SMILESCOC(=O)c1cc(N2CCOCC2)c(C(F)(F)F)cc1NC=O
InChIInChI=1S/C14H15F3N2O4/c1-22-13(21)9-6-12(19-2-4-23-5-3-19)10(14(15,16)17)7-11(9)18-8-20/h6-8H,2-5H2,1H3,(H,18,20)
InChIKeyVMXXBZFKRSTNFQ-UHFFFAOYSA-N
XLogP1.90
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-formamido-5-morpholin-4-yl-4-(trifluoromethyl)benzoate?
The IUPAC name of methyl 2-formamido-5-morpholin-4-yl-4-(trifluoromethyl)benzoate (CID 143172255) is methyl 2-formamido-5-morpholin-4-yl-4-(trifluoromethyl)benzoate.
What is the SMILES notation for methyl 2-formamido-5-morpholin-4-yl-4-(trifluoromethyl)benzoate?
The canonical SMILES for methyl 2-formamido-5-morpholin-4-yl-4-(trifluoromethyl)benzoate is COC(=O)c1cc(N2CCOCC2)c(C(F)(F)F)cc1NC=O.
What is the InChIKey of methyl 2-formamido-5-morpholin-4-yl-4-(trifluoromethyl)benzoate?
The InChIKey is VMXXBZFKRSTNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O4/c1-22-13(21)9-6-12(19-2-4-23-5-3-19)10(14(15,16)17)7-11(9)18-8-20/h6-8H,2-5H2,1H3,(H,18,20).
What are the key properties of methyl 2-formamido-5-morpholin-4-yl-4-(trifluoromethyl)benzoate?
methyl 2-formamido-5-morpholin-4-yl-4-(trifluoromethyl)benzoate has a molecular weight of 332.28 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-formamido-5-morpholin-4-yl-4-(trifluoromethyl)benzoate is sourced from PubChem (CID 143172255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).