1-[4-ethyl-3-(trifluoromethoxy)benzoyl]-N-hydroxyazetidine-2-carboxamide

C14H15F3N2O4 — CID 85087240

IUPAC1-[4-ethyl-3-(trifluoromethoxy)benzoyl]-N-hydroxyazetidine-2-carboxamide
SMILESCCc1ccc(C(=O)N2CCC2C(=O)NO)cc1OC(F)(F)F
InChIInChI=1S/C14H15F3N2O4/c1-2-8-3-4-9(7-11(8)23-14(15,16)17)13(21)19-6-5-10(19)12(20)18-22/h3-4,7,10,22H,2,5-6H2,1H3,(H,18,20)
InChIKeySKUJJSNQTVGFLE-UHFFFAOYSA-N
MW332.28 g/mol
LogP1.87
Rot. Bonds4

About 1-[4-ethyl-3-(trifluoromethoxy)benzoyl]-N-hydroxyazetidine-2-carboxamide

1-[4-ethyl-3-(trifluoromethoxy)benzoyl]-N-hydroxyazetidine-2-carboxamide (PubChem CID 85087240) has the molecular formula C14H15F3N2O4 and a molecular weight of 332.28 g/mol. Its IUPAC name is 1-[4-ethyl-3-(trifluoromethoxy)benzoyl]-N-hydroxyazetidine-2-carboxamide.

Molecular Properties

Compound Name1-[4-ethyl-3-(trifluoromethoxy)benzoyl]-N-hydroxyazetidine-2-carboxamide
PubChem CID85087240
Molecular FormulaC14H15F3N2O4
Molecular Weight332.28 g/mol
Exact Mass332.10
IUPAC Name1-[4-ethyl-3-(trifluoromethoxy)benzoyl]-N-hydroxyazetidine-2-carboxamide
SMILESCCc1ccc(C(=O)N2CCC2C(=O)NO)cc1OC(F)(F)F
InChIInChI=1S/C14H15F3N2O4/c1-2-8-3-4-9(7-11(8)23-14(15,16)17)13(21)19-6-5-10(19)12(20)18-22/h3-4,7,10,22H,2,5-6H2,1H3,(H,18,20)
InChIKeySKUJJSNQTVGFLE-UHFFFAOYSA-N
XLogP1.87
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-1-[4-methoxy-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxamide
CID 85079953
(2R)-N-hydroxy-1-[4-methylsulfanyl-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxamide
CID 10066445
N-hydroxy-1-[4-prop-2-enoxy-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxamide
CID 85146678
(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
methyl 4-ethyl-3-(trifluoromethoxy)benzoate
CID 59382476
(2R)-1-(3,5-dimethoxy-4-methylbenzoyl)-N-hydroxyazetidine-2-carboxamide
CID 10040078
1-[4-prop-2-enoxy-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxylic acid
CID 69382888
(2R)-N-hydroxy-1-(3-methylsulfanylbenzoyl)azetidine-2-carboxamide
CID 10355565
(2R)-1-(4-ethenoxy-3-methoxy-5-prop-2-enylbenzoyl)-N-hydroxyazetidine-2-carboxamide
CID 10471941
methyl (2R)-1-(3-methoxy-4-methylbenzoyl)azetidine-2-carboxylate
CID 68682554
N-cyclopropyl-1-[4-(trifluoromethoxy)benzoyl]pyrrolidine-2-carboxamide
CID 86924377

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-3-(trifluoromethoxy)benzoyl]-N-hydroxyazetidine-2-carboxamide?
The IUPAC name of 1-[4-ethyl-3-(trifluoromethoxy)benzoyl]-N-hydroxyazetidine-2-carboxamide (CID 85087240) is 1-[4-ethyl-3-(trifluoromethoxy)benzoyl]-N-hydroxyazetidine-2-carboxamide.
What is the SMILES notation for 1-[4-ethyl-3-(trifluoromethoxy)benzoyl]-N-hydroxyazetidine-2-carboxamide?
The canonical SMILES for 1-[4-ethyl-3-(trifluoromethoxy)benzoyl]-N-hydroxyazetidine-2-carboxamide is CCc1ccc(C(=O)N2CCC2C(=O)NO)cc1OC(F)(F)F.
What is the InChIKey of 1-[4-ethyl-3-(trifluoromethoxy)benzoyl]-N-hydroxyazetidine-2-carboxamide?
The InChIKey is SKUJJSNQTVGFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O4/c1-2-8-3-4-9(7-11(8)23-14(15,16)17)13(21)19-6-5-10(19)12(20)18-22/h3-4,7,10,22H,2,5-6H2,1H3,(H,18,20).
What are the key properties of 1-[4-ethyl-3-(trifluoromethoxy)benzoyl]-N-hydroxyazetidine-2-carboxamide?
1-[4-ethyl-3-(trifluoromethoxy)benzoyl]-N-hydroxyazetidine-2-carboxamide has a molecular weight of 332.28 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-3-(trifluoromethoxy)benzoyl]-N-hydroxyazetidine-2-carboxamide is sourced from PubChem (CID 85087240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).