5-methoxy-2-morpholin-4-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide

C19H15F7N2O3 — CID 135057736

IUPAC5-methoxy-2-morpholin-4-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide
SMILESCOc1ccc(N2CCOCC2)c(C(=O)Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c1
InChIInChI=1S/C19H15F7N2O3/c1-30-9-2-3-11(28-4-6-31-7-5-28)10(8-9)18(29)27-17-15(22)13(20)12(19(24,25)26)14(21)16(17)23/h2-3,8H,4-7H2,1H3,(H,27,29)
InChIKeyONDMMMUHAJEACJ-UHFFFAOYSA-N
MW452.33 g/mol
LogP4.36
Rot. Bonds4

About 5-methoxy-2-morpholin-4-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide

5-methoxy-2-morpholin-4-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide (PubChem CID 135057736) has the molecular formula C19H15F7N2O3 and a molecular weight of 452.33 g/mol. Its IUPAC name is 5-methoxy-2-morpholin-4-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name5-methoxy-2-morpholin-4-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide
PubChem CID135057736
Molecular FormulaC19H15F7N2O3
Molecular Weight452.33 g/mol
Exact Mass452.10
IUPAC Name5-methoxy-2-morpholin-4-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide
SMILESCOc1ccc(N2CCOCC2)c(C(=O)Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c1
InChIInChI=1S/C19H15F7N2O3/c1-30-9-2-3-11(28-4-6-31-7-5-28)10(8-9)18(29)27-17-15(22)13(20)12(19(24,25)26)14(21)16(17)23/h2-3,8H,4-7H2,1H3,(H,27,29)
InChIKeyONDMMMUHAJEACJ-UHFFFAOYSA-N
XLogP4.36
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.33
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-morpholin-4-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 5-methoxy-2-morpholin-4-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide (CID 135057736) is 5-methoxy-2-morpholin-4-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 5-methoxy-2-morpholin-4-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 5-methoxy-2-morpholin-4-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide is COc1ccc(N2CCOCC2)c(C(=O)Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c1.
What is the InChIKey of 5-methoxy-2-morpholin-4-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is ONDMMMUHAJEACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F7N2O3/c1-30-9-2-3-11(28-4-6-31-7-5-28)10(8-9)18(29)27-17-15(22)13(20)12(19(24,25)26)14(21)16(17)23/h2-3,8H,4-7H2,1H3,(H,27,29).
What are the key properties of 5-methoxy-2-morpholin-4-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide?
5-methoxy-2-morpholin-4-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 452.33 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-morpholin-4-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 135057736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).