N-hydroxy-1-[4-prop-2-enoxy-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxamide

C15H15F3N2O5 — CID 85146678

IUPACN-hydroxy-1-[4-prop-2-enoxy-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxamide
SMILESC=CCOc1ccc(C(=O)N2CCC2C(=O)NO)cc1OC(F)(F)F
InChIInChI=1S/C15H15F3N2O5/c1-2-7-24-11-4-3-9(8-12(11)25-15(16,17)18)14(22)20-6-5-10(20)13(21)19-23/h2-4,8,10,23H,1,5-7H2,(H,19,21)
InChIKeyFYEXLVSSCPCKFU-UHFFFAOYSA-N
MW360.29 g/mol
LogP1.87
Rot. Bonds6

About N-hydroxy-1-[4-prop-2-enoxy-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxamide

N-hydroxy-1-[4-prop-2-enoxy-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxamide (PubChem CID 85146678) has the molecular formula C15H15F3N2O5 and a molecular weight of 360.29 g/mol. Its IUPAC name is N-hydroxy-1-[4-prop-2-enoxy-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-[4-prop-2-enoxy-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxamide
PubChem CID85146678
Molecular FormulaC15H15F3N2O5
Molecular Weight360.29 g/mol
Exact Mass360.09
IUPAC NameN-hydroxy-1-[4-prop-2-enoxy-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxamide
SMILESC=CCOc1ccc(C(=O)N2CCC2C(=O)NO)cc1OC(F)(F)F
InChIInChI=1S/C15H15F3N2O5/c1-2-7-24-11-4-3-9(8-12(11)25-15(16,17)18)14(22)20-6-5-10(20)13(21)19-23/h2-4,8,10,23H,1,5-7H2,(H,19,21)
InChIKeyFYEXLVSSCPCKFU-UHFFFAOYSA-N
XLogP1.87
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-prop-2-enoxy-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxylic acid
CID 69382888
N-hydroxy-1-[4-methoxy-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxamide
CID 85079953
1-[4-ethyl-3-(trifluoromethoxy)benzoyl]-N-hydroxyazetidine-2-carboxamide
CID 85087240
(2R)-N-hydroxy-1-[4-methylsulfanyl-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxamide
CID 10066445
(2R)-1-[4-butoxy-3-(trifluoromethylsulfanyl)benzoyl]-N-hydroxyazetidine-2-carboxamide
CID 10318338
(2R)-1-[4-methylsulfanyl-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxylic acid
CID 69383411
(2R)-1-(4-ethenoxy-3-methoxy-5-prop-2-enylbenzoyl)-N-hydroxyazetidine-2-carboxamide
CID 10471941
(2R)-1-(3,5-dimethoxy-4-methylbenzoyl)-N-hydroxyazetidine-2-carboxamide
CID 10040078
4-prop-2-enoxy-3-(trifluoromethoxy)aniline
CID 68685743
(2R)-N-hydroxy-1-(3-methylsulfanylbenzoyl)azetidine-2-carboxamide
CID 10355565
(3-bromo-4-prop-2-enoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 17067207
(3-methoxy-4-prop-2-enoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119492614

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-[4-prop-2-enoxy-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxamide?
The IUPAC name of N-hydroxy-1-[4-prop-2-enoxy-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxamide (CID 85146678) is N-hydroxy-1-[4-prop-2-enoxy-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxamide.
What is the SMILES notation for N-hydroxy-1-[4-prop-2-enoxy-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxamide?
The canonical SMILES for N-hydroxy-1-[4-prop-2-enoxy-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxamide is C=CCOc1ccc(C(=O)N2CCC2C(=O)NO)cc1OC(F)(F)F.
What is the InChIKey of N-hydroxy-1-[4-prop-2-enoxy-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxamide?
The InChIKey is FYEXLVSSCPCKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O5/c1-2-7-24-11-4-3-9(8-12(11)25-15(16,17)18)14(22)20-6-5-10(20)13(21)19-23/h2-4,8,10,23H,1,5-7H2,(H,19,21).
What are the key properties of N-hydroxy-1-[4-prop-2-enoxy-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxamide?
N-hydroxy-1-[4-prop-2-enoxy-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxamide has a molecular weight of 360.29 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-[4-prop-2-enoxy-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxamide is sourced from PubChem (CID 85146678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).