3,3,3-trifluoro-2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-[(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propanamide

C24H23F3N2O4 — CID 10004421

IUPAC3,3,3-trifluoro-2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-[(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propanamide
SMILESCc1cccc2c1CCCC2CC(O)(C(=O)Nc1ccc2c(=O)onc(C)c2c1)C(F)(F)F
InChIInChI=1S/C24H23F3N2O4/c1-13-5-3-8-18-15(6-4-7-17(13)18)12-23(32,24(25,26)27)22(31)28-16-9-10-19-20(11-16)14(2)29-33-21(19)30/h3,5,8-11,15,32H,4,6-7,12H2,1-2H3,(H,28,31)
InChIKeyNGYTUHRRJCITEK-UHFFFAOYSA-N
MW460.45 g/mol
LogP4.55
Rot. Bonds4

About 3,3,3-trifluoro-2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-[(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propanamide

3,3,3-trifluoro-2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-[(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propanamide (PubChem CID 10004421) has the molecular formula C24H23F3N2O4 and a molecular weight of 460.45 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-[(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-[(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propanamide
PubChem CID10004421
Molecular FormulaC24H23F3N2O4
Molecular Weight460.45 g/mol
Exact Mass460.16
IUPAC Name3,3,3-trifluoro-2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-[(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propanamide
SMILESCc1cccc2c1CCCC2CC(O)(C(=O)Nc1ccc2c(=O)onc(C)c2c1)C(F)(F)F
InChIInChI=1S/C24H23F3N2O4/c1-13-5-3-8-18-15(6-4-7-17(13)18)12-23(32,24(25,26)27)22(31)28-16-9-10-19-20(11-16)14(2)29-33-21(19)30/h3,5,8-11,15,32H,4,6-7,12H2,1-2H3,(H,28,31)
InChIKeyNGYTUHRRJCITEK-UHFFFAOYSA-N
XLogP4.55
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.45
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3,3,3-trifluoro-2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-[(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-[(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-[(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propanamide (CID 10004421) is 3,3,3-trifluoro-2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-[(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-[(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-[(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propanamide is Cc1cccc2c1CCCC2CC(O)(C(=O)Nc1ccc2c(=O)onc(C)c2c1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-[(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propanamide?
The InChIKey is NGYTUHRRJCITEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O4/c1-13-5-3-8-18-15(6-4-7-17(13)18)12-23(32,24(25,26)27)22(31)28-16-9-10-19-20(11-16)14(2)29-33-21(19)30/h3,5,8-11,15,32H,4,6-7,12H2,1-2H3,(H,28,31).
What are the key properties of 3,3,3-trifluoro-2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-[(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propanamide?
3,3,3-trifluoro-2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-[(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propanamide has a molecular weight of 460.45 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-[(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propanamide is sourced from PubChem (CID 10004421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).