N-hydroxy-2,2-dimethyl-3-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-benzoxazine-6-carboxamide

C19H17F3N2O4 — CID 126645915

IUPACN-hydroxy-2,2-dimethyl-3-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-benzoxazine-6-carboxamide
SMILESCC1(C)Oc2ccc(C(=O)NO)cc2N(Cc2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C19H17F3N2O4/c1-18(2)17(26)24(10-11-3-6-13(7-4-11)19(20,21)22)14-9-12(16(25)23-27)5-8-15(14)28-18/h3-9,27H,10H2,1-2H3,(H,23,25)
InChIKeyGDEUAUGFQFAOEL-UHFFFAOYSA-N
MW394.35 g/mol
LogP3.53
Rot. Bonds3

About N-hydroxy-2,2-dimethyl-3-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-benzoxazine-6-carboxamide

N-hydroxy-2,2-dimethyl-3-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-benzoxazine-6-carboxamide (PubChem CID 126645915) has the molecular formula C19H17F3N2O4 and a molecular weight of 394.35 g/mol. Its IUPAC name is N-hydroxy-2,2-dimethyl-3-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2,2-dimethyl-3-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-benzoxazine-6-carboxamide
PubChem CID126645915
Molecular FormulaC19H17F3N2O4
Molecular Weight394.35 g/mol
Exact Mass394.11
IUPAC NameN-hydroxy-2,2-dimethyl-3-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-benzoxazine-6-carboxamide
SMILESCC1(C)Oc2ccc(C(=O)NO)cc2N(Cc2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C19H17F3N2O4/c1-18(2)17(26)24(10-11-3-6-13(7-4-11)19(20,21)22)14-9-12(16(25)23-27)5-8-15(14)28-18/h3-9,27H,10H2,1-2H3,(H,23,25)
InChIKeyGDEUAUGFQFAOEL-UHFFFAOYSA-N
XLogP3.53
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2,2-dimethyl-3-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N-hydroxy-2,2-dimethyl-3-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-benzoxazine-6-carboxamide (CID 126645915) is N-hydroxy-2,2-dimethyl-3-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N-hydroxy-2,2-dimethyl-3-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N-hydroxy-2,2-dimethyl-3-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-benzoxazine-6-carboxamide is CC1(C)Oc2ccc(C(=O)NO)cc2N(Cc2ccc(C(F)(F)F)cc2)C1=O.
What is the InChIKey of N-hydroxy-2,2-dimethyl-3-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-benzoxazine-6-carboxamide?
The InChIKey is GDEUAUGFQFAOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O4/c1-18(2)17(26)24(10-11-3-6-13(7-4-11)19(20,21)22)14-9-12(16(25)23-27)5-8-15(14)28-18/h3-9,27H,10H2,1-2H3,(H,23,25).
What are the key properties of N-hydroxy-2,2-dimethyl-3-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-benzoxazine-6-carboxamide?
N-hydroxy-2,2-dimethyl-3-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-benzoxazine-6-carboxamide has a molecular weight of 394.35 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2,2-dimethyl-3-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 126645915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).