2-[[(3S)-morpholin-3-yl]methoxy]-5-(trifluoromethyl)benzamide

C13H15F3N2O3 — CID 68717489

IUPAC2-[[(3S)-morpholin-3-yl]methoxy]-5-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(C(F)(F)F)ccc1OC[C@@H]1COCCN1
InChIInChI=1S/C13H15F3N2O3/c14-13(15,16)8-1-2-11(10(5-8)12(17)19)21-7-9-6-20-4-3-18-9/h1-2,5,9,18H,3-4,6-7H2,(H2,17,19)/t9-/m0/s1
InChIKeyFCLKPQFEGGDDNV-VIFPVBQESA-N
MW304.27 g/mol
LogP1.17
Rot. Bonds4

About 2-[[(3S)-morpholin-3-yl]methoxy]-5-(trifluoromethyl)benzamide

2-[[(3S)-morpholin-3-yl]methoxy]-5-(trifluoromethyl)benzamide (PubChem CID 68717489) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is 2-[[(3S)-morpholin-3-yl]methoxy]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-[[(3S)-morpholin-3-yl]methoxy]-5-(trifluoromethyl)benzamide
PubChem CID68717489
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC Name2-[[(3S)-morpholin-3-yl]methoxy]-5-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(C(F)(F)F)ccc1OC[C@@H]1COCCN1
InChIInChI=1S/C13H15F3N2O3/c14-13(15,16)8-1-2-11(10(5-8)12(17)19)21-7-9-6-20-4-3-18-9/h1-2,5,9,18H,3-4,6-7H2,(H2,17,19)/t9-/m0/s1
InChIKeyFCLKPQFEGGDDNV-VIFPVBQESA-N
XLogP1.17
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-morpholin-3-yl]methoxy]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-[[(3S)-morpholin-3-yl]methoxy]-5-(trifluoromethyl)benzamide (CID 68717489) is 2-[[(3S)-morpholin-3-yl]methoxy]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-[[(3S)-morpholin-3-yl]methoxy]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-[[(3S)-morpholin-3-yl]methoxy]-5-(trifluoromethyl)benzamide is NC(=O)c1cc(C(F)(F)F)ccc1OC[C@@H]1COCCN1.
What is the InChIKey of 2-[[(3S)-morpholin-3-yl]methoxy]-5-(trifluoromethyl)benzamide?
The InChIKey is FCLKPQFEGGDDNV-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15F3N2O3/c14-13(15,16)8-1-2-11(10(5-8)12(17)19)21-7-9-6-20-4-3-18-9/h1-2,5,9,18H,3-4,6-7H2,(H2,17,19)/t9-/m0/s1.
What are the key properties of 2-[[(3S)-morpholin-3-yl]methoxy]-5-(trifluoromethyl)benzamide?
2-[[(3S)-morpholin-3-yl]methoxy]-5-(trifluoromethyl)benzamide has a molecular weight of 304.27 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-morpholin-3-yl]methoxy]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 68717489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).