2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide

C21H19ClF3N3O4 — CID 2996281

IUPAC2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C21H19ClF3N3O4/c22-14-2-4-18-17(10-14)28(20(30)12-32-18)11-19(29)26-15-9-13(21(23,24)25)1-3-16(15)27-5-7-31-8-6-27/h1-4,9-10H,5-8,11-12H2,(H,26,29)
InChIKeyBNSNEGBXDDQUKU-UHFFFAOYSA-N
MW469.85 g/mol
LogP3.56
Rot. Bonds4

About 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide

2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 2996281) has the molecular formula C21H19ClF3N3O4 and a molecular weight of 469.85 g/mol. Its IUPAC name is 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
PubChem CID2996281
Molecular FormulaC21H19ClF3N3O4
Molecular Weight469.85 g/mol
Exact Mass469.10
IUPAC Name2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C21H19ClF3N3O4/c22-14-2-4-18-17(10-14)28(20(30)12-32-18)11-19(29)26-15-9-13(21(23,24)25)1-3-16(15)27-5-7-31-8-6-27/h1-4,9-10H,5-8,11-12H2,(H,26,29)
InChIKeyBNSNEGBXDDQUKU-UHFFFAOYSA-N
XLogP3.56
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.85
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-morpholin-4-ylphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 26207996
2-(3-oxo-1,4-benzoxazin-4-yl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 18886648
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2,4-difluorophenyl)acetamide
CID 31070956
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-piperidin-1-ylphenyl)acetamide
CID 25336533
2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 41316268
4-chloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2121780
N-(2-bromophenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 3494008
N-(3-chloro-2-fluorophenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 30291298
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 26368507
N-(5-chloro-2-methoxyphenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 2205365
2-[4-chloro-2-(1,2,4-triazol-4-yl)phenoxy]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 46366653
2-(2,3-dihydroindol-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 4818454

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide (CID 2996281) is 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide is O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1cc(C(F)(F)F)ccc1N1CCOCC1.
What is the InChIKey of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is BNSNEGBXDDQUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF3N3O4/c22-14-2-4-18-17(10-14)28(20(30)12-32-18)11-19(29)26-15-9-13(21(23,24)25)1-3-16(15)27-5-7-31-8-6-27/h1-4,9-10H,5-8,11-12H2,(H,26,29).
What are the key properties of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 469.85 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2996281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).