N-(oxan-4-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide

C18H22F3NO3 — CID 71886913

IUPACN-(oxan-4-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
SMILESO=C(NC1CCOCC1)C1(c2cccc(C(F)(F)F)c2)CCOCC1
InChIInChI=1S/C18H22F3NO3/c19-18(20,21)14-3-1-2-13(12-14)17(6-10-25-11-7-17)16(23)22-15-4-8-24-9-5-15/h1-3,12,15H,4-11H2,(H,22,23)
InChIKeyLYZWOTTWQTWEQG-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.05
Rot. Bonds3

About N-(oxan-4-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide

N-(oxan-4-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide (PubChem CID 71886913) has the molecular formula C18H22F3NO3 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-(oxan-4-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
PubChem CID71886913
Molecular FormulaC18H22F3NO3
Molecular Weight357.37 g/mol
Exact Mass357.16
IUPAC NameN-(oxan-4-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
SMILESO=C(NC1CCOCC1)C1(c2cccc(C(F)(F)F)c2)CCOCC1
InChIInChI=1S/C18H22F3NO3/c19-18(20,21)14-3-1-2-13(12-14)17(6-10-25-11-7-17)16(23)22-15-4-8-24-9-5-15/h1-3,12,15H,4-11H2,(H,22,23)
InChIKeyLYZWOTTWQTWEQG-UHFFFAOYSA-N
XLogP3.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 99811328
N-piperidin-4-yl-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 119387498
N-(2-methoxyethyl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 51091401
N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 95180815
N-(2-ethoxyethyl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 51092273
4-(4-bromophenyl)-N-(oxan-4-yl)oxane-4-carboxamide
CID 169449681
N-(4-morpholin-4-ylbutyl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 47889696
piperidin-1-yl-[1-[4-[3-(trifluoromethyl)phenyl]oxane-4-carbonyl]piperidin-4-yl]methanone
CID 55997592
N-(3-nitrophenyl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 60567198
benzyl 2-[[4-[3-(trifluoromethyl)phenyl]oxane-4-carbonyl]amino]acetate
CID 60566825
N-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 60564434
N-(4-methylidenecyclohexyl)-4-phenyloxane-4-carboxamide
CID 126851440

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide?
The IUPAC name of N-(oxan-4-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide (CID 71886913) is N-(oxan-4-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide.
What is the SMILES notation for N-(oxan-4-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide?
The canonical SMILES for N-(oxan-4-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide is O=C(NC1CCOCC1)C1(c2cccc(C(F)(F)F)c2)CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide?
The InChIKey is LYZWOTTWQTWEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3NO3/c19-18(20,21)14-3-1-2-13(12-14)17(6-10-25-11-7-17)16(23)22-15-4-8-24-9-5-15/h1-3,12,15H,4-11H2,(H,22,23).
What are the key properties of N-(oxan-4-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide?
N-(oxan-4-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide has a molecular weight of 357.37 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 71886913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).