N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide

C18H17FN2O4 — CID 26960552

IUPACN-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SMILESCN(CCOc1ccccc1F)C(=O)c1ccc2c(c1)OCC(=O)N2
InChIInChI=1S/C18H17FN2O4/c1-21(8-9-24-15-5-3-2-4-13(15)19)18(23)12-6-7-14-16(10-12)25-11-17(22)20-14/h2-7,10H,8-9,11H2,1H3,(H,20,22)
InChIKeySMPMUBLBEIWEKZ-UHFFFAOYSA-N
MW344.34 g/mol
LogP2.31
Rot. Bonds5

About N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide

N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide (PubChem CID 26960552) has the molecular formula C18H17FN2O4 and a molecular weight of 344.34 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
PubChem CID26960552
Molecular FormulaC18H17FN2O4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SMILESCN(CCOc1ccccc1F)C(=O)c1ccc2c(c1)OCC(=O)N2
InChIInChI=1S/C18H17FN2O4/c1-21(8-9-24-15-5-3-2-4-13(15)19)18(23)12-6-7-14-16(10-12)25-11-17(22)20-14/h2-7,10H,8-9,11H2,1H3,(H,20,22)
InChIKeySMPMUBLBEIWEKZ-UHFFFAOYSA-N
XLogP2.31
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide (CID 26960552) is N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide is CN(CCOc1ccccc1F)C(=O)c1ccc2c(c1)OCC(=O)N2.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The InChIKey is SMPMUBLBEIWEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4/c1-21(8-9-24-15-5-3-2-4-13(15)19)18(23)12-6-7-14-16(10-12)25-11-17(22)20-14/h2-7,10H,8-9,11H2,1H3,(H,20,22).
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide has a molecular weight of 344.34 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide is sourced from PubChem (CID 26960552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).