2-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]morpholine-4-carboxamide

C18H16ClF3N2O2 — CID 87034917

IUPAC2-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]morpholine-4-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H16ClF3N2O2/c19-13-7-5-12(6-8-13)16-11-24(9-10-26-16)17(25)23-15-4-2-1-3-14(15)18(20,21)22/h1-8,16H,9-11H2,(H,23,25)
InChIKeyKKBZLNZBLYTHEZ-UHFFFAOYSA-N
MW384.79 g/mol
LogP4.96
Rot. Bonds2

About 2-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]morpholine-4-carboxamide

2-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]morpholine-4-carboxamide (PubChem CID 87034917) has the molecular formula C18H16ClF3N2O2 and a molecular weight of 384.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]morpholine-4-carboxamide
PubChem CID87034917
Molecular FormulaC18H16ClF3N2O2
Molecular Weight384.79 g/mol
Exact Mass384.09
IUPAC Name2-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]morpholine-4-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H16ClF3N2O2/c19-13-7-5-12(6-8-13)16-11-24(9-10-26-16)17(25)23-15-4-2-1-3-14(15)18(20,21)22/h1-8,16H,9-11H2,(H,23,25)
InChIKeyKKBZLNZBLYTHEZ-UHFFFAOYSA-N
XLogP4.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.79
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]morpholine-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]morpholine-4-carboxamide (CID 87034917) is 2-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]morpholine-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]morpholine-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]morpholine-4-carboxamide is O=C(Nc1ccccc1C(F)(F)F)N1CCOC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]morpholine-4-carboxamide?
The InChIKey is KKBZLNZBLYTHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N2O2/c19-13-7-5-12(6-8-13)16-11-24(9-10-26-16)17(25)23-15-4-2-1-3-14(15)18(20,21)22/h1-8,16H,9-11H2,(H,23,25).
What are the key properties of 2-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]morpholine-4-carboxamide?
2-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]morpholine-4-carboxamide has a molecular weight of 384.79 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 87034917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).