4-(5-fluoro-2-methylphenyl)-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-3,4-dihydro-2,3-benzoxazin-6-yl)-2-(trifluoromethyl)pentanamide

C23H24F4N2O4 — CID 10205309

IUPAC4-(5-fluoro-2-methylphenyl)-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-3,4-dihydro-2,3-benzoxazin-6-yl)-2-(trifluoromethyl)pentanamide
SMILESCc1ccc(F)cc1C(C)(C)CC(O)(C(=O)Nc1ccc2c(c1)C(C)NOC2=O)C(F)(F)F
InChIInChI=1S/C23H24F4N2O4/c1-12-5-6-14(24)9-18(12)21(3,4)11-22(32,23(25,26)27)20(31)28-15-7-8-16-17(10-15)13(2)29-33-19(16)30/h5-10,13,29,32H,11H2,1-4H3,(H,28,31)
InChIKeyRKWRGVATEPZOMB-UHFFFAOYSA-N
MW468.45 g/mol
LogP4.47
Rot. Bonds5

About 4-(5-fluoro-2-methylphenyl)-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-3,4-dihydro-2,3-benzoxazin-6-yl)-2-(trifluoromethyl)pentanamide

4-(5-fluoro-2-methylphenyl)-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-3,4-dihydro-2,3-benzoxazin-6-yl)-2-(trifluoromethyl)pentanamide (PubChem CID 10205309) has the molecular formula C23H24F4N2O4 and a molecular weight of 468.45 g/mol. Its IUPAC name is 4-(5-fluoro-2-methylphenyl)-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-3,4-dihydro-2,3-benzoxazin-6-yl)-2-(trifluoromethyl)pentanamide.

Molecular Properties

Compound Name4-(5-fluoro-2-methylphenyl)-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-3,4-dihydro-2,3-benzoxazin-6-yl)-2-(trifluoromethyl)pentanamide
PubChem CID10205309
Molecular FormulaC23H24F4N2O4
Molecular Weight468.45 g/mol
Exact Mass468.17
IUPAC Name4-(5-fluoro-2-methylphenyl)-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-3,4-dihydro-2,3-benzoxazin-6-yl)-2-(trifluoromethyl)pentanamide
SMILESCc1ccc(F)cc1C(C)(C)CC(O)(C(=O)Nc1ccc2c(c1)C(C)NOC2=O)C(F)(F)F
InChIInChI=1S/C23H24F4N2O4/c1-12-5-6-14(24)9-18(12)21(3,4)11-22(32,23(25,26)27)20(31)28-15-7-8-16-17(10-15)13(2)29-33-19(16)30/h5-10,13,29,32H,11H2,1-4H3,(H,28,31)
InChIKeyRKWRGVATEPZOMB-UHFFFAOYSA-N
XLogP4.47
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.45
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methylphenyl)-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-3,4-dihydro-2,3-benzoxazin-6-yl)-2-(trifluoromethyl)pentanamide?
The IUPAC name of 4-(5-fluoro-2-methylphenyl)-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-3,4-dihydro-2,3-benzoxazin-6-yl)-2-(trifluoromethyl)pentanamide (CID 10205309) is 4-(5-fluoro-2-methylphenyl)-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-3,4-dihydro-2,3-benzoxazin-6-yl)-2-(trifluoromethyl)pentanamide.
What is the SMILES notation for 4-(5-fluoro-2-methylphenyl)-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-3,4-dihydro-2,3-benzoxazin-6-yl)-2-(trifluoromethyl)pentanamide?
The canonical SMILES for 4-(5-fluoro-2-methylphenyl)-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-3,4-dihydro-2,3-benzoxazin-6-yl)-2-(trifluoromethyl)pentanamide is Cc1ccc(F)cc1C(C)(C)CC(O)(C(=O)Nc1ccc2c(c1)C(C)NOC2=O)C(F)(F)F.
What is the InChIKey of 4-(5-fluoro-2-methylphenyl)-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-3,4-dihydro-2,3-benzoxazin-6-yl)-2-(trifluoromethyl)pentanamide?
The InChIKey is RKWRGVATEPZOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F4N2O4/c1-12-5-6-14(24)9-18(12)21(3,4)11-22(32,23(25,26)27)20(31)28-15-7-8-16-17(10-15)13(2)29-33-19(16)30/h5-10,13,29,32H,11H2,1-4H3,(H,28,31).
What are the key properties of 4-(5-fluoro-2-methylphenyl)-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-3,4-dihydro-2,3-benzoxazin-6-yl)-2-(trifluoromethyl)pentanamide?
4-(5-fluoro-2-methylphenyl)-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-3,4-dihydro-2,3-benzoxazin-6-yl)-2-(trifluoromethyl)pentanamide has a molecular weight of 468.45 g/mol, XLogP of 4.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methylphenyl)-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-3,4-dihydro-2,3-benzoxazin-6-yl)-2-(trifluoromethyl)pentanamide is sourced from PubChem (CID 10205309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).