2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-fluorophenoxy)ethyl]acetamide

C18H16ClFN2O4 — CID 37360924

IUPAC2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-fluorophenoxy)ethyl]acetamide
SMILESO=C(CN1C(=O)COc2ccc(Cl)cc21)NCCOc1ccc(F)cc1
InChIInChI=1S/C18H16ClFN2O4/c19-12-1-6-16-15(9-12)22(18(24)11-26-16)10-17(23)21-7-8-25-14-4-2-13(20)3-5-14/h1-6,9H,7-8,10-11H2,(H,21,23)
InChIKeyBIJYPHFXCKEVJN-UHFFFAOYSA-N
MW378.79 g/mol
LogP2.40
Rot. Bonds6

About 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-fluorophenoxy)ethyl]acetamide

2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-fluorophenoxy)ethyl]acetamide (PubChem CID 37360924) has the molecular formula C18H16ClFN2O4 and a molecular weight of 378.79 g/mol. Its IUPAC name is 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-fluorophenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-fluorophenoxy)ethyl]acetamide
PubChem CID37360924
Molecular FormulaC18H16ClFN2O4
Molecular Weight378.79 g/mol
Exact Mass378.08
IUPAC Name2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-fluorophenoxy)ethyl]acetamide
SMILESO=C(CN1C(=O)COc2ccc(Cl)cc21)NCCOc1ccc(F)cc1
InChIInChI=1S/C18H16ClFN2O4/c19-12-1-6-16-15(9-12)22(18(24)11-26-16)10-17(23)21-7-8-25-14-4-2-13(20)3-5-14/h1-6,9H,7-8,10-11H2,(H,21,23)
InChIKeyBIJYPHFXCKEVJN-UHFFFAOYSA-N
XLogP2.40
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.79
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-fluorophenoxy)ethyl]acetamide?
The IUPAC name of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-fluorophenoxy)ethyl]acetamide (CID 37360924) is 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-fluorophenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-fluorophenoxy)ethyl]acetamide?
The canonical SMILES for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-fluorophenoxy)ethyl]acetamide is O=C(CN1C(=O)COc2ccc(Cl)cc21)NCCOc1ccc(F)cc1.
What is the InChIKey of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-fluorophenoxy)ethyl]acetamide?
The InChIKey is BIJYPHFXCKEVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O4/c19-12-1-6-16-15(9-12)22(18(24)11-26-16)10-17(23)21-7-8-25-14-4-2-13(20)3-5-14/h1-6,9H,7-8,10-11H2,(H,21,23).
What are the key properties of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-fluorophenoxy)ethyl]acetamide?
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-fluorophenoxy)ethyl]acetamide has a molecular weight of 378.79 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-fluorophenoxy)ethyl]acetamide is sourced from PubChem (CID 37360924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).