N-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide;hydrochloride

C11H12ClF3N2O — CID 91623950

IUPACN-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(C(F)(F)F)c1)C1CNC1
InChIInChI=1S/C11H11F3N2O.ClH/c12-11(13,14)8-2-1-3-9(4-8)16-10(17)7-5-15-6-7;/h1-4,7,15H,5-6H2,(H,16,17);1H
InChIKeyCTZKOQDBPHRHCL-UHFFFAOYSA-N
MW280.68 g/mol
LogP2.29
Rot. Bonds2

About N-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide;hydrochloride

N-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide;hydrochloride (PubChem CID 91623950) has the molecular formula C11H12ClF3N2O and a molecular weight of 280.68 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide;hydrochloride
PubChem CID91623950
Molecular FormulaC11H12ClF3N2O
Molecular Weight280.68 g/mol
Exact Mass280.06
IUPAC NameN-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(C(F)(F)F)c1)C1CNC1
InChIInChI=1S/C11H11F3N2O.ClH/c12-11(13,14)8-2-1-3-9(4-8)16-10(17)7-5-15-6-7;/h1-4,7,15H,5-6H2,(H,16,17);1H
InChIKeyCTZKOQDBPHRHCL-UHFFFAOYSA-N
XLogP2.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898
3,3-difluoro-N-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 155823176
1-(2,2,2-trifluoroacetyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 110344139
1-N-(2-methylpropyl)-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 109145347
N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]piperidine-4-carboxamide;hydrochloride
CID 119305471
(2S)-N-[3-(trifluoromethyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119671263
N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119262127
3-(cyclopentanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 3978789
2-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 53270434
2,4-dioxo-N-[3-(trifluoromethyl)phenyl]bicyclo[3.2.1]octane-3-carboxamide
CID 11587867
1,1-dioxo-N-[3-(trifluoromethyl)phenyl]thiane-3-carboxamide
CID 110860856

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide;hydrochloride (CID 91623950) is N-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide;hydrochloride is Cl.O=C(Nc1cccc(C(F)(F)F)c1)C1CNC1.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide;hydrochloride?
The InChIKey is CTZKOQDBPHRHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O.ClH/c12-11(13,14)8-2-1-3-9(4-8)16-10(17)7-5-15-6-7;/h1-4,7,15H,5-6H2,(H,16,17);1H.
What are the key properties of N-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide;hydrochloride?
N-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide;hydrochloride has a molecular weight of 280.68 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 91623950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).