4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]butanamide

C20H19F3N2O3 — CID 20887616

IUPAC4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]butanamide
SMILESCc1ccc2c(c1)N(CCCC(=O)Nc1ccccc1C(F)(F)F)C(=O)CO2
InChIInChI=1S/C20H19F3N2O3/c1-13-8-9-17-16(11-13)25(19(27)12-28-17)10-4-7-18(26)24-15-6-3-2-5-14(15)20(21,22)23/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3,(H,24,26)
InChIKeyGOIIEKCJSUNZFD-UHFFFAOYSA-N
MW392.38 g/mol
LogP4.16
Rot. Bonds5

About 4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]butanamide

4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]butanamide (PubChem CID 20887616) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is 4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]butanamide
PubChem CID20887616
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC Name4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]butanamide
SMILESCc1ccc2c(c1)N(CCCC(=O)Nc1ccccc1C(F)(F)F)C(=O)CO2
InChIInChI=1S/C20H19F3N2O3/c1-13-8-9-17-16(11-13)25(19(27)12-28-17)10-4-7-18(26)24-15-6-3-2-5-14(15)20(21,22)23/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3,(H,24,26)
InChIKeyGOIIEKCJSUNZFD-UHFFFAOYSA-N
XLogP4.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18774340
N-(1,2-diphenylethyl)-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide
CID 5047623
N-(2,4-dimethylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9191692
4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-morpholin-4-ylpropyl)butanamide
CID 3252883
3-(3-oxo-1,4-benzoxazin-4-yl)-N'-[2-(trifluoromethyl)phenyl]propanehydrazide
CID 55386609
4-hexyl-6-methyl-1,4-benzoxazin-3-one
CID 143253505
N-(1-benzylpiperidin-4-yl)-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide
CID 42788025
N-(2-aminoethyl)-3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 39163215
N-(2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9191658
2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-phenylacetamide
CID 18773522
N-[5-(diethylamino)pentan-2-yl]-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide
CID 3511652
N-[2-(dimethylamino)ethyl]-3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 46246200

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]butanamide (CID 20887616) is 4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]butanamide is Cc1ccc2c(c1)N(CCCC(=O)Nc1ccccc1C(F)(F)F)C(=O)CO2.
What is the InChIKey of 4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]butanamide?
The InChIKey is GOIIEKCJSUNZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c1-13-8-9-17-16(11-13)25(19(27)12-28-17)10-4-7-18(26)24-15-6-3-2-5-14(15)20(21,22)23/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3,(H,24,26).
What are the key properties of 4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]butanamide?
4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]butanamide has a molecular weight of 392.38 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 20887616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).