2-(4-fluorophenyl)-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]acetamide

C18H17FN2O3 — CID 110404498

IUPAC2-(4-fluorophenyl)-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]acetamide
SMILESCN1C(=O)C(CNC(=O)Cc2ccc(F)cc2)Oc2ccccc21
InChIInChI=1S/C18H17FN2O3/c1-21-14-4-2-3-5-15(14)24-16(18(21)23)11-20-17(22)10-12-6-8-13(19)9-7-12/h2-9,16H,10-11H2,1H3,(H,20,22)
InChIKeyRYFYCYPDTSFBSU-UHFFFAOYSA-N
MW328.34 g/mol
LogP1.91
Rot. Bonds4

About 2-(4-fluorophenyl)-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]acetamide

2-(4-fluorophenyl)-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]acetamide (PubChem CID 110404498) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]acetamide
PubChem CID110404498
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name2-(4-fluorophenyl)-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]acetamide
SMILESCN1C(=O)C(CNC(=O)Cc2ccc(F)cc2)Oc2ccccc21
InChIInChI=1S/C18H17FN2O3/c1-21-14-4-2-3-5-15(14)24-16(18(21)23)11-20-17(22)10-12-6-8-13(19)9-7-12/h2-9,16H,10-11H2,1H3,(H,20,22)
InChIKeyRYFYCYPDTSFBSU-UHFFFAOYSA-N
XLogP1.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2-phenylacetamide
CID 110404497
4-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzamide
CID 110404478
4-fluoro-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzamide
CID 110404798
2-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]acetamide
CID 110404508
2-chloro-6-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzamide
CID 110404522
N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2,2-diphenylacetamide
CID 110404491
1-(4-chlorophenyl)-3-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]urea
CID 110404511
2-chloro-6-fluoro-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzamide
CID 110404837
2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 110383322
N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]-3-phenoxypropanamide
CID 110404823
2-(4-chlorophenyl)-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]acetamide
CID 110404332
2-ethyl-4-[(4-fluorophenyl)methyl]-1,4-benzoxazin-3-one
CID 4278808

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]acetamide (CID 110404498) is 2-(4-fluorophenyl)-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]acetamide is CN1C(=O)C(CNC(=O)Cc2ccc(F)cc2)Oc2ccccc21.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]acetamide?
The InChIKey is RYFYCYPDTSFBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-21-14-4-2-3-5-15(14)24-16(18(21)23)11-20-17(22)10-12-6-8-13(19)9-7-12/h2-9,16H,10-11H2,1H3,(H,20,22).
What are the key properties of 2-(4-fluorophenyl)-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]acetamide?
2-(4-fluorophenyl)-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]acetamide has a molecular weight of 328.34 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]acetamide is sourced from PubChem (CID 110404498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).