N-[2-chloro-5-(trifluoromethyl)phenyl]-2-morpholin-4-ylacetamide

C13H14ClF3N2O2 — CID 676222

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C13H14ClF3N2O2/c14-10-2-1-9(13(15,16)17)7-11(10)18-12(20)8-19-3-5-21-6-4-19/h1-2,7H,3-6,8H2,(H,18,20)
InChIKeyVFZPLSLWRSDHKF-UHFFFAOYSA-N
MW322.71 g/mol
LogP2.63
Rot. Bonds3

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-morpholin-4-ylacetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-morpholin-4-ylacetamide (PubChem CID 676222) has the molecular formula C13H14ClF3N2O2 and a molecular weight of 322.71 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-morpholin-4-ylacetamide
PubChem CID676222
Molecular FormulaC13H14ClF3N2O2
Molecular Weight322.71 g/mol
Exact Mass322.07
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C13H14ClF3N2O2/c14-10-2-1-9(13(15,16)17)7-11(10)18-12(20)8-19-3-5-21-6-4-19/h1-2,7H,3-6,8H2,(H,18,20)
InChIKeyVFZPLSLWRSDHKF-UHFFFAOYSA-N
XLogP2.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.71
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-morpholin-4-ylacetamide (CID 676222) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-morpholin-4-ylacetamide?
The InChIKey is VFZPLSLWRSDHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N2O2/c14-10-2-1-9(13(15,16)17)7-11(10)18-12(20)8-19-3-5-21-6-4-19/h1-2,7H,3-6,8H2,(H,18,20).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-morpholin-4-ylacetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-morpholin-4-ylacetamide has a molecular weight of 322.71 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 676222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).