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

C18H16F4N2O2 — CID 1086047

IUPAC3-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cccc(F)c1
InChIInChI=1S/C18H16F4N2O2/c19-14-3-1-2-12(10-14)17(25)23-15-11-13(18(20,21)22)4-5-16(15)24-6-8-26-9-7-24/h1-5,10-11H,6-9H2,(H,23,25)
InChIKeyAMUXOLLPCKRGOL-UHFFFAOYSA-N
MW368.33 g/mol
LogP3.93
Rot. Bonds3

About 3-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide

3-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 1086047) has the molecular formula C18H16F4N2O2 and a molecular weight of 368.33 g/mol. Its IUPAC name is 3-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
PubChem CID1086047
Molecular FormulaC18H16F4N2O2
Molecular Weight368.33 g/mol
Exact Mass368.11
IUPAC Name3-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cccc(F)c1
InChIInChI=1S/C18H16F4N2O2/c19-14-3-1-2-12(10-14)17(25)23-15-11-13(18(20,21)22)4-5-16(15)24-6-8-26-9-7-24/h1-5,10-11H,6-9H2,(H,23,25)
InChIKeyAMUXOLLPCKRGOL-UHFFFAOYSA-N
XLogP3.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.33
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide (CID 1086047) is 3-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is AMUXOLLPCKRGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N2O2/c19-14-3-1-2-12(10-14)17(25)23-15-11-13(18(20,21)22)4-5-16(15)24-6-8-26-9-7-24/h1-5,10-11H,6-9H2,(H,23,25).
What are the key properties of 3-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide?
3-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 368.33 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 1086047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).