N-(2-fluorophenyl)-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-1,4-benzoxazine-6-carboxamide

C23H24FN3O5 — CID 3222957

IUPACN-(2-fluorophenyl)-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESCC1(C)Oc2ccc(C(=O)Nc3ccccc3F)cc2N(CC(=O)N2CCOCC2)C1=O
InChIInChI=1S/C23H24FN3O5/c1-23(2)22(30)27(14-20(28)26-9-11-31-12-10-26)18-13-15(7-8-19(18)32-23)21(29)25-17-6-4-3-5-16(17)24/h3-8,13H,9-12,14H2,1-2H3,(H,25,29)
InChIKeyVSDHYGRWAIMPPC-UHFFFAOYSA-N
MW441.46 g/mol
LogP2.44
Rot. Bonds4

About N-(2-fluorophenyl)-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-1,4-benzoxazine-6-carboxamide

N-(2-fluorophenyl)-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-1,4-benzoxazine-6-carboxamide (PubChem CID 3222957) has the molecular formula C23H24FN3O5 and a molecular weight of 441.46 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-1,4-benzoxazine-6-carboxamide
PubChem CID3222957
Molecular FormulaC23H24FN3O5
Molecular Weight441.46 g/mol
Exact Mass441.17
IUPAC NameN-(2-fluorophenyl)-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESCC1(C)Oc2ccc(C(=O)Nc3ccccc3F)cc2N(CC(=O)N2CCOCC2)C1=O
InChIInChI=1S/C23H24FN3O5/c1-23(2)22(30)27(14-20(28)26-9-11-31-12-10-26)18-13-15(7-8-19(18)32-23)21(29)25-17-6-4-3-5-16(17)24/h3-8,13H,9-12,14H2,1-2H3,(H,25,29)
InChIKeyVSDHYGRWAIMPPC-UHFFFAOYSA-N
XLogP2.44
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.46
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-1,4-benzoxazine-6-carboxamide (CID 3222957) is N-(2-fluorophenyl)-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-1,4-benzoxazine-6-carboxamide is CC1(C)Oc2ccc(C(=O)Nc3ccccc3F)cc2N(CC(=O)N2CCOCC2)C1=O.
What is the InChIKey of N-(2-fluorophenyl)-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-1,4-benzoxazine-6-carboxamide?
The InChIKey is VSDHYGRWAIMPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O5/c1-23(2)22(30)27(14-20(28)26-9-11-31-12-10-26)18-13-15(7-8-19(18)32-23)21(29)25-17-6-4-3-5-16(17)24/h3-8,13H,9-12,14H2,1-2H3,(H,25,29).
What are the key properties of N-(2-fluorophenyl)-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-1,4-benzoxazine-6-carboxamide?
N-(2-fluorophenyl)-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-1,4-benzoxazine-6-carboxamide has a molecular weight of 441.46 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 3222957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).