2-fluoro-N-(4-morpholin-4-ylbutan-2-yl)-3-(trifluoromethyl)benzamide

C16H20F4N2O2 — CID 71976035

IUPAC2-fluoro-N-(4-morpholin-4-ylbutan-2-yl)-3-(trifluoromethyl)benzamide
SMILESCC(CCN1CCOCC1)NC(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C16H20F4N2O2/c1-11(5-6-22-7-9-24-10-8-22)21-15(23)12-3-2-4-13(14(12)17)16(18,19)20/h2-4,11H,5-10H2,1H3,(H,21,23)
InChIKeyICVPTNPAPOMJKF-UHFFFAOYSA-N
MW348.34 g/mol
LogP2.69
Rot. Bonds5

About 2-fluoro-N-(4-morpholin-4-ylbutan-2-yl)-3-(trifluoromethyl)benzamide

2-fluoro-N-(4-morpholin-4-ylbutan-2-yl)-3-(trifluoromethyl)benzamide (PubChem CID 71976035) has the molecular formula C16H20F4N2O2 and a molecular weight of 348.34 g/mol. Its IUPAC name is 2-fluoro-N-(4-morpholin-4-ylbutan-2-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(4-morpholin-4-ylbutan-2-yl)-3-(trifluoromethyl)benzamide
PubChem CID71976035
Molecular FormulaC16H20F4N2O2
Molecular Weight348.34 g/mol
Exact Mass348.15
IUPAC Name2-fluoro-N-(4-morpholin-4-ylbutan-2-yl)-3-(trifluoromethyl)benzamide
SMILESCC(CCN1CCOCC1)NC(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C16H20F4N2O2/c1-11(5-6-22-7-9-24-10-8-22)21-15(23)12-3-2-4-13(14(12)17)16(18,19)20/h2-4,11H,5-10H2,1H3,(H,21,23)
InChIKeyICVPTNPAPOMJKF-UHFFFAOYSA-N
XLogP2.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-morpholin-4-ylbutan-2-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-(4-morpholin-4-ylbutan-2-yl)-3-(trifluoromethyl)benzamide (CID 71976035) is 2-fluoro-N-(4-morpholin-4-ylbutan-2-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(4-morpholin-4-ylbutan-2-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-(4-morpholin-4-ylbutan-2-yl)-3-(trifluoromethyl)benzamide is CC(CCN1CCOCC1)NC(=O)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of 2-fluoro-N-(4-morpholin-4-ylbutan-2-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is ICVPTNPAPOMJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F4N2O2/c1-11(5-6-22-7-9-24-10-8-22)21-15(23)12-3-2-4-13(14(12)17)16(18,19)20/h2-4,11H,5-10H2,1H3,(H,21,23).
What are the key properties of 2-fluoro-N-(4-morpholin-4-ylbutan-2-yl)-3-(trifluoromethyl)benzamide?
2-fluoro-N-(4-morpholin-4-ylbutan-2-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 348.34 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-morpholin-4-ylbutan-2-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 71976035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).