N-[(2R)-butan-2-yl]-1-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]azetidine-3-carboxamide

C23H26F4N2O2 — CID 176930799

IUPACN-[(2R)-butan-2-yl]-1-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]azetidine-3-carboxamide
SMILESCC[C@@H](C)NC(=O)C1CN(Cc2ccc(OCc3cccc(C(F)(F)F)c3)cc2F)C1
InChIInChI=1S/C23H26F4N2O2/c1-3-15(2)28-22(30)18-12-29(13-18)11-17-7-8-20(10-21(17)24)31-14-16-5-4-6-19(9-16)23(25,26)27/h4-10,15,18H,3,11-14H2,1-2H3,(H,28,30)/t15-/m1/s1
InChIKeyQKFURHASUOAYCY-OAHLLOKOSA-N
MW438.47 g/mol
LogP4.77
Rot. Bonds8

About N-[(2R)-butan-2-yl]-1-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]azetidine-3-carboxamide

N-[(2R)-butan-2-yl]-1-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]azetidine-3-carboxamide (PubChem CID 176930799) has the molecular formula C23H26F4N2O2 and a molecular weight of 438.47 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-1-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-1-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]azetidine-3-carboxamide
PubChem CID176930799
Molecular FormulaC23H26F4N2O2
Molecular Weight438.47 g/mol
Exact Mass438.19
IUPAC NameN-[(2R)-butan-2-yl]-1-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]azetidine-3-carboxamide
SMILESCC[C@@H](C)NC(=O)C1CN(Cc2ccc(OCc3cccc(C(F)(F)F)c3)cc2F)C1
InChIInChI=1S/C23H26F4N2O2/c1-3-15(2)28-22(30)18-12-29(13-18)11-17-7-8-20(10-21(17)24)31-14-16-5-4-6-19(9-16)23(25,26)27/h4-10,15,18H,3,11-14H2,1-2H3,(H,28,30)/t15-/m1/s1
InChIKeyQKFURHASUOAYCY-OAHLLOKOSA-N
XLogP4.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.47
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-butan-2-yl]-1-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]azetidine-3-carboxamide with MolForge

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Related Compounds

1-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-N-(4,4,4-trifluorobutyl)azetidine-3-carboxamide
CID 176930158
1-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-N-(2-hydroxyethyl)-N-methylazetidine-3-carboxamide
CID 176930532
(2S)-N-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-3-methylbutan-2-amine
CID 68760009
(3S)-N-methyl-1-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]pyrrolidine-3-carboxamide
CID 176929976
1-[[2-chloro-4-[[3-(1,1-difluoropropyl)phenyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid
CID 91150205
1-[[2,3-dimethyl-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid
CID 176931022
1-[[2-fluoro-4-(3-methylbutoxy)phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930687
N-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-3-methoxy-2-methylpropan-1-amine
CID 46873110
N-methyl-1-[[5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazin-2-yl]methyl]azetidine-3-carboxamide
CID 176930423
1-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 42866502
(3S,6R)-N-[(2S)-butan-2-yl]-1-(cyclopropanecarbonyl)-6-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 92995078
1-[[2-fluoro-4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxylic acid
CID 176930820

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-1-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]azetidine-3-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-1-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]azetidine-3-carboxamide (CID 176930799) is N-[(2R)-butan-2-yl]-1-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]azetidine-3-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-1-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]azetidine-3-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-1-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]azetidine-3-carboxamide is CC[C@@H](C)NC(=O)C1CN(Cc2ccc(OCc3cccc(C(F)(F)F)c3)cc2F)C1.
What is the InChIKey of N-[(2R)-butan-2-yl]-1-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]azetidine-3-carboxamide?
The InChIKey is QKFURHASUOAYCY-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H26F4N2O2/c1-3-15(2)28-22(30)18-12-29(13-18)11-17-7-8-20(10-21(17)24)31-14-16-5-4-6-19(9-16)23(25,26)27/h4-10,15,18H,3,11-14H2,1-2H3,(H,28,30)/t15-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-1-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]azetidine-3-carboxamide?
N-[(2R)-butan-2-yl]-1-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]azetidine-3-carboxamide has a molecular weight of 438.47 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-1-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]azetidine-3-carboxamide is sourced from PubChem (CID 176930799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).