N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]oxolane-3-carboxamide;hydrochloride

C13H16ClF3N2O2 — CID 120605354

IUPACN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]oxolane-3-carboxamide;hydrochloride
SMILESCl.NCc1cc(NC(=O)C2CCOC2)cc(C(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O2.ClH/c14-13(15,16)10-3-8(6-17)4-11(5-10)18-12(19)9-1-2-20-7-9;/h3-5,9H,1-2,6-7,17H2,(H,18,19);1H
InChIKeyXEKUUSSBOVVMGV-UHFFFAOYSA-N
MW324.73 g/mol
LogP2.56
Rot. Bonds3

About N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]oxolane-3-carboxamide;hydrochloride

N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]oxolane-3-carboxamide;hydrochloride (PubChem CID 120605354) has the molecular formula C13H16ClF3N2O2 and a molecular weight of 324.73 g/mol. Its IUPAC name is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]oxolane-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]oxolane-3-carboxamide;hydrochloride
PubChem CID120605354
Molecular FormulaC13H16ClF3N2O2
Molecular Weight324.73 g/mol
Exact Mass324.09
IUPAC NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]oxolane-3-carboxamide;hydrochloride
SMILESCl.NCc1cc(NC(=O)C2CCOC2)cc(C(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O2.ClH/c14-13(15,16)10-3-8(6-17)4-11(5-10)18-12(19)9-1-2-20-7-9;/h3-5,9H,1-2,6-7,17H2,(H,18,19);1H
InChIKeyXEKUUSSBOVVMGV-UHFFFAOYSA-N
XLogP2.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.73
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]oxolane-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]oxolane-3-carboxamide;hydrochloride (CID 120605354) is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]oxolane-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]oxolane-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]oxolane-3-carboxamide;hydrochloride is Cl.NCc1cc(NC(=O)C2CCOC2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]oxolane-3-carboxamide;hydrochloride?
The InChIKey is XEKUUSSBOVVMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2.ClH/c14-13(15,16)10-3-8(6-17)4-11(5-10)18-12(19)9-1-2-20-7-9;/h3-5,9H,1-2,6-7,17H2,(H,18,19);1H.
What are the key properties of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]oxolane-3-carboxamide;hydrochloride?
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]oxolane-3-carboxamide;hydrochloride has a molecular weight of 324.73 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]oxolane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120605354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).