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

C20H21F3N2O3 — CID 2093034

IUPAC4-ethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1
InChIInChI=1S/C20H21F3N2O3/c1-2-28-16-6-3-14(4-7-16)19(26)24-17-13-15(20(21,22)23)5-8-18(17)25-9-11-27-12-10-25/h3-8,13H,2,9-12H2,1H3,(H,24,26)
InChIKeyNVTFUQZWKKOQJE-UHFFFAOYSA-N
MW394.39 g/mol
LogP4.19
Rot. Bonds5

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

4-ethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 2093034) has the molecular formula C20H21F3N2O3 and a molecular weight of 394.39 g/mol. Its IUPAC name is 4-ethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
PubChem CID2093034
Molecular FormulaC20H21F3N2O3
Molecular Weight394.39 g/mol
Exact Mass394.15
IUPAC Name4-ethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1
InChIInChI=1S/C20H21F3N2O3/c1-2-28-16-6-3-14(4-7-16)19(26)24-17-13-15(20(21,22)23)5-8-18(17)25-9-11-27-12-10-25/h3-8,13H,2,9-12H2,1H3,(H,24,26)
InChIKeyNVTFUQZWKKOQJE-UHFFFAOYSA-N
XLogP4.19
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-ethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide (CID 2093034) is 4-ethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide is CCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1.
What is the InChIKey of 4-ethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is NVTFUQZWKKOQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O3/c1-2-28-16-6-3-14(4-7-16)19(26)24-17-13-15(20(21,22)23)5-8-18(17)25-9-11-27-12-10-25/h3-8,13H,2,9-12H2,1H3,(H,24,26).
What are the key properties of 4-ethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide?
4-ethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 394.39 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 2093034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).