N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2,2,2-trifluoroethylamino)acetamide

C12H12F3N3O3 — CID 78957972

IUPACN-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)Nc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C12H12F3N3O3/c13-12(14,15)6-16-4-10(19)17-7-1-2-9-8(3-7)18-11(20)5-21-9/h1-3,16H,4-6H2,(H,17,19)(H,18,20)
InChIKeyJWMRICSZXOXUMJ-UHFFFAOYSA-N
MW303.24 g/mol
LogP1.11
Rot. Bonds4

About N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78957972) has the molecular formula C12H12F3N3O3 and a molecular weight of 303.24 g/mol. Its IUPAC name is N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78957972
Molecular FormulaC12H12F3N3O3
Molecular Weight303.24 g/mol
Exact Mass303.08
IUPAC NameN-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)Nc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C12H12F3N3O3/c13-12(14,15)6-16-4-10(19)17-7-1-2-9-8(3-7)18-11(20)5-21-9/h1-3,16H,4-6H2,(H,17,19)(H,18,20)
InChIKeyJWMRICSZXOXUMJ-UHFFFAOYSA-N
XLogP1.11
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2,2,2-trifluoroethylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 24654705
2-(2,5-dimethylpyrrol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110205820
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 51153500
4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide
CID 60637259
2-(4-hydroxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 78838052
4-amino-3-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 81087224
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 51175989
4-cyclohexyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 29357799
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 51153512
3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 119048714
2-(4-bromo-2-methylphenyl)sulfanyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 32969780
methyl 2-oxo-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]acetate
CID 115142185

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78957972) is N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)Nc1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is JWMRICSZXOXUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O3/c13-12(14,15)6-16-4-10(19)17-7-1-2-9-8(3-7)18-11(20)5-21-9/h1-3,16H,4-6H2,(H,17,19)(H,18,20).
What are the key properties of N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 303.24 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78957972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).