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

C18H17FN2O4 — CID 110789954

IUPAC2-(4-fluorophenoxy)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
SMILESO=C(COc1ccc(F)cc1)NCCc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C18H17FN2O4/c19-13-2-4-14(5-3-13)24-10-17(22)20-8-7-12-1-6-16-15(9-12)21-18(23)11-25-16/h1-6,9H,7-8,10-11H2,(H,20,22)(H,21,23)
InChIKeyZFPPBAYGRNQOAE-UHFFFAOYSA-N
MW344.34 g/mol
LogP1.89
Rot. Bonds6

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

2-(4-fluorophenoxy)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide (PubChem CID 110789954) has the molecular formula C18H17FN2O4 and a molecular weight of 344.34 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
PubChem CID110789954
Molecular FormulaC18H17FN2O4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC Name2-(4-fluorophenoxy)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
SMILESO=C(COc1ccc(F)cc1)NCCc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C18H17FN2O4/c19-13-2-4-14(5-3-13)24-10-17(22)20-8-7-12-1-6-16-15(9-12)21-18(23)11-25-16/h1-6,9H,7-8,10-11H2,(H,20,22)(H,21,23)
InChIKeyZFPPBAYGRNQOAE-UHFFFAOYSA-N
XLogP1.89
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide
CID 110789938
2-(3-fluorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
CID 110789945
3-(3-fluorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide
CID 110789939
3-(4-fluorophenyl)-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]propanamide
CID 110738439
4-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzamide
CID 110738398
4-methyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide
CID 110789900
6-[2-(2,4-difluorophenyl)ethyl]-4H-1,4-benzoxazin-3-one
CID 127033260
N-[2-(4-methoxyphenyl)ethyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763772
N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110795833
methyl 2-[(3-oxo-4H-1,4-benzoxazin-6-yl)oxy]acetate
CID 17233891
4-(dimethylamino)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide
CID 110795832
N-(4-ethoxyphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770336

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide (CID 110789954) is 2-(4-fluorophenoxy)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide is O=C(COc1ccc(F)cc1)NCCc1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide?
The InChIKey is ZFPPBAYGRNQOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4/c19-13-2-4-14(5-3-13)24-10-17(22)20-8-7-12-1-6-16-15(9-12)21-18(23)11-25-16/h1-6,9H,7-8,10-11H2,(H,20,22)(H,21,23).
What are the key properties of 2-(4-fluorophenoxy)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide?
2-(4-fluorophenoxy)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide has a molecular weight of 344.34 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide is sourced from PubChem (CID 110789954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).