2,4-dimethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide

C20H21F3N2O4 — CID 3161744

IUPAC2,4-dimethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c(OC)c1
InChIInChI=1S/C20H21F3N2O4/c1-27-14-4-5-15(18(12-14)28-2)19(26)24-16-11-13(20(21,22)23)3-6-17(16)25-7-9-29-10-8-25/h3-6,11-12H,7-10H2,1-2H3,(H,24,26)
InChIKeyZDGPKTPQISZEJC-UHFFFAOYSA-N
MW410.39 g/mol
LogP3.81
Rot. Bonds5

About 2,4-dimethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide

2,4-dimethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 3161744) has the molecular formula C20H21F3N2O4 and a molecular weight of 410.39 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
PubChem CID3161744
Molecular FormulaC20H21F3N2O4
Molecular Weight410.39 g/mol
Exact Mass410.15
IUPAC Name2,4-dimethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c(OC)c1
InChIInChI=1S/C20H21F3N2O4/c1-27-14-4-5-15(18(12-14)28-2)19(26)24-16-11-13(20(21,22)23)3-6-17(16)25-7-9-29-10-8-25/h3-6,11-12H,7-10H2,1-2H3,(H,24,26)
InChIKeyZDGPKTPQISZEJC-UHFFFAOYSA-N
XLogP3.81
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2,4-dimethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide (CID 3161744) is 2,4-dimethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2,4-dimethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide is COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is ZDGPKTPQISZEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O4/c1-27-14-4-5-15(18(12-14)28-2)19(26)24-16-11-13(20(21,22)23)3-6-17(16)25-7-9-29-10-8-25/h3-6,11-12H,7-10H2,1-2H3,(H,24,26).
What are the key properties of 2,4-dimethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide?
2,4-dimethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 410.39 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 3161744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).