N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-hydroxyazetidine-1-carboxamide

C12H12F4N2O2 — CID 119072217

IUPACN-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-hydroxyazetidine-1-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1F)N1CC(O)C1
InChIInChI=1S/C12H12F4N2O2/c13-10-3-8(12(14,15)16)2-1-7(10)4-17-11(20)18-5-9(19)6-18/h1-3,9,19H,4-6H2,(H,17,20)
InChIKeyMQERXTZUMADZKR-UHFFFAOYSA-N
MW292.23 g/mol
LogP1.73
Rot. Bonds2

About N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-hydroxyazetidine-1-carboxamide

N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-hydroxyazetidine-1-carboxamide (PubChem CID 119072217) has the molecular formula C12H12F4N2O2 and a molecular weight of 292.23 g/mol. Its IUPAC name is N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-hydroxyazetidine-1-carboxamide.

Molecular Properties

Compound NameN-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-hydroxyazetidine-1-carboxamide
PubChem CID119072217
Molecular FormulaC12H12F4N2O2
Molecular Weight292.23 g/mol
Exact Mass292.08
IUPAC NameN-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-hydroxyazetidine-1-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1F)N1CC(O)C1
InChIInChI=1S/C12H12F4N2O2/c13-10-3-8(12(14,15)16)2-1-7(10)4-17-11(20)18-5-9(19)6-18/h1-3,9,19H,4-6H2,(H,17,20)
InChIKeyMQERXTZUMADZKR-UHFFFAOYSA-N
XLogP1.73
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.23
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-hydroxyazetidine-1-carboxamide?
The IUPAC name of N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-hydroxyazetidine-1-carboxamide (CID 119072217) is N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-hydroxyazetidine-1-carboxamide.
What is the SMILES notation for N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-hydroxyazetidine-1-carboxamide?
The canonical SMILES for N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-hydroxyazetidine-1-carboxamide is O=C(NCc1ccc(C(F)(F)F)cc1F)N1CC(O)C1.
What is the InChIKey of N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-hydroxyazetidine-1-carboxamide?
The InChIKey is MQERXTZUMADZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F4N2O2/c13-10-3-8(12(14,15)16)2-1-7(10)4-17-11(20)18-5-9(19)6-18/h1-3,9,19H,4-6H2,(H,17,20).
What are the key properties of N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-hydroxyazetidine-1-carboxamide?
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-hydroxyazetidine-1-carboxamide has a molecular weight of 292.23 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-hydroxyazetidine-1-carboxamide is sourced from PubChem (CID 119072217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).