N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(oxan-4-ylmethyl)azetidine-2-carboxamide

C17H20F4N2O2 — CID 77437633

IUPACN-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(oxan-4-ylmethyl)azetidine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(C(F)(F)F)c1)C1CCN1CC1CCOCC1
InChIInChI=1S/C17H20F4N2O2/c18-14-2-1-12(9-13(14)17(19,20)21)22-16(24)15-3-6-23(15)10-11-4-7-25-8-5-11/h1-2,9,11,15H,3-8,10H2,(H,22,24)
InChIKeyULFQSAXNDVAQQO-UHFFFAOYSA-N
MW360.35 g/mol
LogP3.28
Rot. Bonds4

About N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(oxan-4-ylmethyl)azetidine-2-carboxamide

N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(oxan-4-ylmethyl)azetidine-2-carboxamide (PubChem CID 77437633) has the molecular formula C17H20F4N2O2 and a molecular weight of 360.35 g/mol. Its IUPAC name is N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(oxan-4-ylmethyl)azetidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(oxan-4-ylmethyl)azetidine-2-carboxamide
PubChem CID77437633
Molecular FormulaC17H20F4N2O2
Molecular Weight360.35 g/mol
Exact Mass360.15
IUPAC NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(oxan-4-ylmethyl)azetidine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(C(F)(F)F)c1)C1CCN1CC1CCOCC1
InChIInChI=1S/C17H20F4N2O2/c18-14-2-1-12(9-13(14)17(19,20)21)22-16(24)15-3-6-23(15)10-11-4-7-25-8-5-11/h1-2,9,11,15H,3-8,10H2,(H,22,24)
InChIKeyULFQSAXNDVAQQO-UHFFFAOYSA-N
XLogP3.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(oxan-4-ylmethyl)azetidine-2-carboxamide?
The IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(oxan-4-ylmethyl)azetidine-2-carboxamide (CID 77437633) is N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(oxan-4-ylmethyl)azetidine-2-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(oxan-4-ylmethyl)azetidine-2-carboxamide?
The canonical SMILES for N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(oxan-4-ylmethyl)azetidine-2-carboxamide is O=C(Nc1ccc(F)c(C(F)(F)F)c1)C1CCN1CC1CCOCC1.
What is the InChIKey of N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(oxan-4-ylmethyl)azetidine-2-carboxamide?
The InChIKey is ULFQSAXNDVAQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F4N2O2/c18-14-2-1-12(9-13(14)17(19,20)21)22-16(24)15-3-6-23(15)10-11-4-7-25-8-5-11/h1-2,9,11,15H,3-8,10H2,(H,22,24).
What are the key properties of N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(oxan-4-ylmethyl)azetidine-2-carboxamide?
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(oxan-4-ylmethyl)azetidine-2-carboxamide has a molecular weight of 360.35 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(oxan-4-ylmethyl)azetidine-2-carboxamide is sourced from PubChem (CID 77437633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).