N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(4-nitrophenoxy)acetamide

C19H18F3N3O5 — CID 1257189

IUPACN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C19H18F3N3O5/c20-19(21,22)13-1-6-17(24-7-9-29-10-8-24)16(11-13)23-18(26)12-30-15-4-2-14(3-5-15)25(27)28/h1-6,11H,7-10,12H2,(H,23,26)
InChIKeyWIMRRCXJWMGBJG-UHFFFAOYSA-N
MW425.36 g/mol
LogP3.47
Rot. Bonds6

About N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(4-nitrophenoxy)acetamide

N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(4-nitrophenoxy)acetamide (PubChem CID 1257189) has the molecular formula C19H18F3N3O5 and a molecular weight of 425.36 g/mol. Its IUPAC name is N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(4-nitrophenoxy)acetamide
PubChem CID1257189
Molecular FormulaC19H18F3N3O5
Molecular Weight425.36 g/mol
Exact Mass425.12
IUPAC NameN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C19H18F3N3O5/c20-19(21,22)13-1-6-17(24-7-9-29-10-8-24)16(11-13)23-18(26)12-30-15-4-2-14(3-5-15)25(27)28/h1-6,11H,7-10,12H2,(H,23,26)
InChIKeyWIMRRCXJWMGBJG-UHFFFAOYSA-N
XLogP3.47
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(4-nitrophenoxy)acetamide (CID 1257189) is N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(4-nitrophenoxy)acetamide is O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1.
What is the InChIKey of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(4-nitrophenoxy)acetamide?
The InChIKey is WIMRRCXJWMGBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O5/c20-19(21,22)13-1-6-17(24-7-9-29-10-8-24)16(11-13)23-18(26)12-30-15-4-2-14(3-5-15)25(27)28/h1-6,11H,7-10,12H2,(H,23,26).
What are the key properties of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(4-nitrophenoxy)acetamide?
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(4-nitrophenoxy)acetamide has a molecular weight of 425.36 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 1257189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).