N-[2-(2-fluorophenyl)ethyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide

C19H19FN2O3 — CID 110683181

IUPACN-[2-(2-fluorophenyl)ethyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESCC1Oc2ccc(C(=O)NCCc3ccccc3F)cc2N(C)C1=O
InChIInChI=1S/C19H19FN2O3/c1-12-19(24)22(2)16-11-14(7-8-17(16)25-12)18(23)21-10-9-13-5-3-4-6-15(13)20/h3-8,11-12H,9-10H2,1-2H3,(H,21,23)
InChIKeyOEKPBEHRAMQMKT-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.54
Rot. Bonds4

About N-[2-(2-fluorophenyl)ethyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide

N-[2-(2-fluorophenyl)ethyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide (PubChem CID 110683181) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
PubChem CID110683181
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESCC1Oc2ccc(C(=O)NCCc3ccccc3F)cc2N(C)C1=O
InChIInChI=1S/C19H19FN2O3/c1-12-19(24)22(2)16-11-14(7-8-17(16)25-12)18(23)21-10-9-13-5-3-4-6-15(13)20/h3-8,11-12H,9-10H2,1-2H3,(H,21,23)
InChIKeyOEKPBEHRAMQMKT-UHFFFAOYSA-N
XLogP2.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110683170
N-[2-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]benzamide
CID 110790097
N-[2-(2-fluorophenyl)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 46679781
N-[2-(2-fluorophenyl)ethyl]-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110770418
2,4-dimethyl-6-[2-(propan-2-ylamino)propanoyl]-1,4-benzoxazin-3-one
CID 82100941
3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-oxopropanal
CID 82479708
3-bromo-N-[2-(2-fluorophenyl)ethyl]-4-methylbenzamide
CID 81472463
N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-3-methylbenzamide
CID 103951657
3-N,3-N-diethyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055375
(2R)-6-[(2S)-2-chloropropanoyl]-2,4-dimethyl-1,4-benzoxazin-3-one
CID 7536483
3-N-[2-(dimethylamino)ethyl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109053145
1-[2-(2-fluorophenyl)ethyl]-3-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]urea
CID 129366717

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide (CID 110683181) is N-[2-(2-fluorophenyl)ethyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide is CC1Oc2ccc(C(=O)NCCc3ccccc3F)cc2N(C)C1=O.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide?
The InChIKey is OEKPBEHRAMQMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-12-19(24)22(2)16-11-14(7-8-17(16)25-12)18(23)21-10-9-13-5-3-4-6-15(13)20/h3-8,11-12H,9-10H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 110683181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).