3-[(4-hydroxyphenoxy)methyl]-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide

C18H17F3N2O3 — CID 71060222

IUPAC3-[(4-hydroxyphenoxy)methyl]-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CC(COc2ccc(O)cc2)C1
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)13-1-3-14(4-2-13)22-17(25)23-9-12(10-23)11-26-16-7-5-15(24)6-8-16/h1-8,12,24H,9-11H2,(H,22,25)
InChIKeyRCIXRHGJLCZCGN-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.95
Rot. Bonds4

About 3-[(4-hydroxyphenoxy)methyl]-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide

3-[(4-hydroxyphenoxy)methyl]-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide (PubChem CID 71060222) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is 3-[(4-hydroxyphenoxy)methyl]-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(4-hydroxyphenoxy)methyl]-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide
PubChem CID71060222
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Name3-[(4-hydroxyphenoxy)methyl]-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CC(COc2ccc(O)cc2)C1
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)13-1-3-14(4-2-13)22-17(25)23-9-12(10-23)11-26-16-7-5-15(24)6-8-16/h1-8,12,24H,9-11H2,(H,22,25)
InChIKeyRCIXRHGJLCZCGN-UHFFFAOYSA-N
XLogP3.95
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(4-hydroxyphenoxy)methyl]-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-hydroxyphenoxy)methyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 67236752
(3S)-3-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-1-carboxamide
CID 95768258
2-chloro-1-[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 162679473
4-[(4-fluorophenyl)methoxymethyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 71784917
N-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]cyclopropanecarboxamide
CID 60522254
N-[4-(cyclopropylmethoxy)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 131960443
(3R)-3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 51944575
3-cyclohexylsulfonyl-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide
CID 71809353
1-[[4-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122075150
(2R,5S)-2-methyl-5-[[4-(trifluoromethyl)phenoxy]methyl]piperidine-1-carboxylic acid
CID 141207575
2-(4-hydroxyphenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 14879849
[4-(trifluoromethyl)phenyl]methyl N-(4-hydroxyphenyl)carbamate
CID 101044688

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxyphenoxy)methyl]-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide?
The IUPAC name of 3-[(4-hydroxyphenoxy)methyl]-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide (CID 71060222) is 3-[(4-hydroxyphenoxy)methyl]-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-[(4-hydroxyphenoxy)methyl]-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide?
The canonical SMILES for 3-[(4-hydroxyphenoxy)methyl]-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)N1CC(COc2ccc(O)cc2)C1.
What is the InChIKey of 3-[(4-hydroxyphenoxy)methyl]-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide?
The InChIKey is RCIXRHGJLCZCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c19-18(20,21)13-1-3-14(4-2-13)22-17(25)23-9-12(10-23)11-26-16-7-5-15(24)6-8-16/h1-8,12,24H,9-11H2,(H,22,25).
What are the key properties of 3-[(4-hydroxyphenoxy)methyl]-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide?
3-[(4-hydroxyphenoxy)methyl]-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide has a molecular weight of 366.34 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxyphenoxy)methyl]-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide is sourced from PubChem (CID 71060222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).