4-fluoro-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzamide

C18H17FN2O3 — CID 110404798

IUPAC4-fluoro-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzamide
SMILESCN1C(=O)C(CCNC(=O)c2ccc(F)cc2)Oc2ccccc21
InChIInChI=1S/C18H17FN2O3/c1-21-14-4-2-3-5-15(14)24-16(18(21)23)10-11-20-17(22)12-6-8-13(19)9-7-12/h2-9,16H,10-11H2,1H3,(H,20,22)
InChIKeyIHXJKIRXPQUNQR-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.37
Rot. Bonds4

About 4-fluoro-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzamide

4-fluoro-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzamide (PubChem CID 110404798) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 4-fluoro-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzamide
PubChem CID110404798
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name4-fluoro-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzamide
SMILESCN1C(=O)C(CCNC(=O)c2ccc(F)cc2)Oc2ccccc21
InChIInChI=1S/C18H17FN2O3/c1-21-14-4-2-3-5-15(14)24-16(18(21)23)10-11-20-17(22)12-6-8-13(19)9-7-12/h2-9,16H,10-11H2,1H3,(H,20,22)
InChIKeyIHXJKIRXPQUNQR-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzamide
CID 110404478
2-chloro-6-fluoro-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzamide
CID 110404837
2-(4-fluorophenyl)-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]acetamide
CID 110404498
N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]-3-phenoxypropanamide
CID 110404823
N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]methanesulfonamide
CID 110404866
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-phenylacetamide
CID 110404497
N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2,2-diphenylacetamide
CID 110404491
4-bromo-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]benzamide
CID 110404641
2-(3-amino-3-methylbutyl)-4-methyl-1,4-benzoxazin-3-one
CID 116990965
N-[2-(2-fluorophenyl)ethyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110683181
N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-4-fluorobenzamide
CID 110716409

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzamide (CID 110404798) is 4-fluoro-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzamide is CN1C(=O)C(CCNC(=O)c2ccc(F)cc2)Oc2ccccc21.
What is the InChIKey of 4-fluoro-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzamide?
The InChIKey is IHXJKIRXPQUNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-21-14-4-2-3-5-15(14)24-16(18(21)23)10-11-20-17(22)12-6-8-13(19)9-7-12/h2-9,16H,10-11H2,1H3,(H,20,22).
What are the key properties of 4-fluoro-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzamide?
4-fluoro-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzamide has a molecular weight of 328.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzamide is sourced from PubChem (CID 110404798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).