N-[1-[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carbonyl]azetidin-3-yl]acetamide

C17H19F4N3O3 — CID 175974890

IUPACN-[1-[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carbonyl]azetidin-3-yl]acetamide
SMILESCC(=O)NC1CN(C(=O)N2CC(OCc3ccc(C(F)(F)F)cc3F)C2)C1
InChIInChI=1S/C17H19F4N3O3/c1-10(25)22-13-5-23(6-13)16(26)24-7-14(8-24)27-9-11-2-3-12(4-15(11)18)17(19,20)21/h2-4,13-14H,5-9H2,1H3,(H,22,25)
InChIKeyAZZZCKUVZNWTOJ-UHFFFAOYSA-N
MW389.35 g/mol
LogP1.99
Rot. Bonds4

About N-[1-[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carbonyl]azetidin-3-yl]acetamide

N-[1-[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carbonyl]azetidin-3-yl]acetamide (PubChem CID 175974890) has the molecular formula C17H19F4N3O3 and a molecular weight of 389.35 g/mol. Its IUPAC name is N-[1-[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carbonyl]azetidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carbonyl]azetidin-3-yl]acetamide
PubChem CID175974890
Molecular FormulaC17H19F4N3O3
Molecular Weight389.35 g/mol
Exact Mass389.14
IUPAC NameN-[1-[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carbonyl]azetidin-3-yl]acetamide
SMILESCC(=O)NC1CN(C(=O)N2CC(OCc3ccc(C(F)(F)F)cc3F)C2)C1
InChIInChI=1S/C17H19F4N3O3/c1-10(25)22-13-5-23(6-13)16(26)24-7-14(8-24)27-9-11-2-3-12(4-15(11)18)17(19,20)21/h2-4,13-14H,5-9H2,1H3,(H,22,25)
InChIKeyAZZZCKUVZNWTOJ-UHFFFAOYSA-N
XLogP1.99
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxylic acid
CID 131964994
3-[1-[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one
CID 175975345
(4aS,8aR)-6-[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carbonyl]-1,2,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-3-one
CID 159134345
[(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]methanone
CID 159059374
tert-butyl 3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]pyrrolidine-1-carboxylate;ethane
CID 166100948
[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 170636429
(4aS,8aR)-6-[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one;molecular hydrogen
CID 153403725
1-(cyclobutyloxymethyl)-2-fluoro-4-(trifluoromethyl)benzene
CID 155024076
(4S)-4-[3-[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]-3-oxopropyl]oxolan-2-one
CID 165010120
[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl 3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxylate
CID 162746069
5-[3-[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]-3-oxopropyl]morpholin-3-one
CID 162745766
4-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]piperidine
CID 68521915

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carbonyl]azetidin-3-yl]acetamide?
The IUPAC name of N-[1-[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carbonyl]azetidin-3-yl]acetamide (CID 175974890) is N-[1-[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carbonyl]azetidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carbonyl]azetidin-3-yl]acetamide?
The canonical SMILES for N-[1-[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carbonyl]azetidin-3-yl]acetamide is CC(=O)NC1CN(C(=O)N2CC(OCc3ccc(C(F)(F)F)cc3F)C2)C1.
What is the InChIKey of N-[1-[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carbonyl]azetidin-3-yl]acetamide?
The InChIKey is AZZZCKUVZNWTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F4N3O3/c1-10(25)22-13-5-23(6-13)16(26)24-7-14(8-24)27-9-11-2-3-12(4-15(11)18)17(19,20)21/h2-4,13-14H,5-9H2,1H3,(H,22,25).
What are the key properties of N-[1-[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carbonyl]azetidin-3-yl]acetamide?
N-[1-[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carbonyl]azetidin-3-yl]acetamide has a molecular weight of 389.35 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carbonyl]azetidin-3-yl]acetamide is sourced from PubChem (CID 175974890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).