N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)morpholine-4-carboxamide

C13H13Cl2F3N2O2 — CID 56864251

IUPACN-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)morpholine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C13H13Cl2F3N2O2/c14-9-2-1-8(10(15)5-9)6-19-12(21)20-3-4-22-11(7-20)13(16,17)18/h1-2,5,11H,3-4,6-7H2,(H,19,21)
InChIKeyZHVMVDZNWBISRZ-UHFFFAOYSA-N
MW357.16 g/mol
LogP3.47
Rot. Bonds2

About N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)morpholine-4-carboxamide

N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)morpholine-4-carboxamide (PubChem CID 56864251) has the molecular formula C13H13Cl2F3N2O2 and a molecular weight of 357.16 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)morpholine-4-carboxamide
PubChem CID56864251
Molecular FormulaC13H13Cl2F3N2O2
Molecular Weight357.16 g/mol
Exact Mass356.03
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)morpholine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C13H13Cl2F3N2O2/c14-9-2-1-8(10(15)5-9)6-19-12(21)20-3-4-22-11(7-20)13(16,17)18/h1-2,5,11H,3-4,6-7H2,(H,19,21)
InChIKeyZHVMVDZNWBISRZ-UHFFFAOYSA-N
XLogP3.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.16
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)morpholine-4-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)morpholine-4-carboxamide (CID 56864251) is N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)morpholine-4-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)morpholine-4-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)morpholine-4-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)N1CCOC(C(F)(F)F)C1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)morpholine-4-carboxamide?
The InChIKey is ZHVMVDZNWBISRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2F3N2O2/c14-9-2-1-8(10(15)5-9)6-19-12(21)20-3-4-22-11(7-20)13(16,17)18/h1-2,5,11H,3-4,6-7H2,(H,19,21).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)morpholine-4-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)morpholine-4-carboxamide has a molecular weight of 357.16 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)morpholine-4-carboxamide is sourced from PubChem (CID 56864251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).