N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide

C15H18ClF3N2O2 — CID 119035175

IUPACN-[2-(2-chlorophenyl)-2-hydroxypropyl]-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide
SMILESCC(O)(CNC(=O)C1CN(CC(F)(F)F)C1)c1ccccc1Cl
InChIInChI=1S/C15H18ClF3N2O2/c1-14(23,11-4-2-3-5-12(11)16)8-20-13(22)10-6-21(7-10)9-15(17,18)19/h2-5,10,23H,6-9H2,1H3,(H,20,22)
InChIKeyPQIHDELFQLYMHA-UHFFFAOYSA-N
MW350.77 g/mol
LogP2.16
Rot. Bonds5

About N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide

N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide (PubChem CID 119035175) has the molecular formula C15H18ClF3N2O2 and a molecular weight of 350.77 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-hydroxypropyl]-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide
PubChem CID119035175
Molecular FormulaC15H18ClF3N2O2
Molecular Weight350.77 g/mol
Exact Mass350.10
IUPAC NameN-[2-(2-chlorophenyl)-2-hydroxypropyl]-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide
SMILESCC(O)(CNC(=O)C1CN(CC(F)(F)F)C1)c1ccccc1Cl
InChIInChI=1S/C15H18ClF3N2O2/c1-14(23,11-4-2-3-5-12(11)16)8-20-13(22)10-6-21(7-10)9-15(17,18)19/h2-5,10,23H,6-9H2,1H3,(H,20,22)
InChIKeyPQIHDELFQLYMHA-UHFFFAOYSA-N
XLogP2.16
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.77
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide (CID 119035175) is N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide is CC(O)(CNC(=O)C1CN(CC(F)(F)F)C1)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide?
The InChIKey is PQIHDELFQLYMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF3N2O2/c1-14(23,11-4-2-3-5-12(11)16)8-20-13(22)10-6-21(7-10)9-15(17,18)19/h2-5,10,23H,6-9H2,1H3,(H,20,22).
What are the key properties of N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide?
N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide has a molecular weight of 350.77 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide is sourced from PubChem (CID 119035175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).