(2R)-4-[(4-fluorophenyl)methyl]-2,6-dimethyl-1,4-benzoxazin-3-one

C17H16FNO2 — CID 1431564

IUPAC(2R)-4-[(4-fluorophenyl)methyl]-2,6-dimethyl-1,4-benzoxazin-3-one
SMILESCc1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)[C@@H](C)O2
InChIInChI=1S/C17H16FNO2/c1-11-3-8-16-15(9-11)19(17(20)12(2)21-16)10-13-4-6-14(18)7-5-13/h3-9,12H,10H2,1-2H3/t12-/m1/s1
InChIKeyNFZRYQDYXWZVNZ-GFCCVEGCSA-N
MW285.32 g/mol
LogP3.45
Rot. Bonds2

About (2R)-4-[(4-fluorophenyl)methyl]-2,6-dimethyl-1,4-benzoxazin-3-one

(2R)-4-[(4-fluorophenyl)methyl]-2,6-dimethyl-1,4-benzoxazin-3-one (PubChem CID 1431564) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is (2R)-4-[(4-fluorophenyl)methyl]-2,6-dimethyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name(2R)-4-[(4-fluorophenyl)methyl]-2,6-dimethyl-1,4-benzoxazin-3-one
PubChem CID1431564
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name(2R)-4-[(4-fluorophenyl)methyl]-2,6-dimethyl-1,4-benzoxazin-3-one
SMILESCc1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)[C@@H](C)O2
InChIInChI=1S/C17H16FNO2/c1-11-3-8-16-15(9-11)19(17(20)12(2)21-16)10-13-4-6-14(18)7-5-13/h3-9,12H,10H2,1-2H3/t12-/m1/s1
InChIKeyNFZRYQDYXWZVNZ-GFCCVEGCSA-N
XLogP3.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethyl-1,4-benzoxazin-3-one
CID 1431627
(2R)-2-methyl-4-[(4-methylphenyl)methyl]-1,4-benzoxazin-3-one
CID 1431675
6-chloro-4-[(4-chlorophenyl)methyl]-2-methyl-1,4-benzoxazin-3-one
CID 23411018
4-[(3,5-dimethoxyphenyl)methyl]-6-fluoro-2-methyl-1,4-benzoxazin-3-one
CID 126472260
6-fluoro-2-methyl-4-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one
CID 126475484
methyl 3-[(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoate
CID 23411196
4-[(5-chlorothiophen-2-yl)methyl]-6-fluoro-2-methyl-1,4-benzoxazin-3-one
CID 126475145
4-[(4-tert-butylphenyl)methyl]-6-chloro-2-methyl-1,4-benzoxazin-3-one
CID 23411148
3-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid
CID 4083989
2-[(2R)-2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl]-N,N-dimethylacetamide
CID 95051568
4-[[4-(bromomethyl)phenyl]methyl]-2-methyl-3-oxo-1,4-benzoxazine-6-carbaldehyde
CID 18452316
(2R)-2,6-dimethyl-4-[2-(4-methylphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one
CID 1431536

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(4-fluorophenyl)methyl]-2,6-dimethyl-1,4-benzoxazin-3-one?
The IUPAC name of (2R)-4-[(4-fluorophenyl)methyl]-2,6-dimethyl-1,4-benzoxazin-3-one (CID 1431564) is (2R)-4-[(4-fluorophenyl)methyl]-2,6-dimethyl-1,4-benzoxazin-3-one.
What is the SMILES notation for (2R)-4-[(4-fluorophenyl)methyl]-2,6-dimethyl-1,4-benzoxazin-3-one?
The canonical SMILES for (2R)-4-[(4-fluorophenyl)methyl]-2,6-dimethyl-1,4-benzoxazin-3-one is Cc1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)[C@@H](C)O2.
What is the InChIKey of (2R)-4-[(4-fluorophenyl)methyl]-2,6-dimethyl-1,4-benzoxazin-3-one?
The InChIKey is NFZRYQDYXWZVNZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-11-3-8-16-15(9-11)19(17(20)12(2)21-16)10-13-4-6-14(18)7-5-13/h3-9,12H,10H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-4-[(4-fluorophenyl)methyl]-2,6-dimethyl-1,4-benzoxazin-3-one?
(2R)-4-[(4-fluorophenyl)methyl]-2,6-dimethyl-1,4-benzoxazin-3-one has a molecular weight of 285.32 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(4-fluorophenyl)methyl]-2,6-dimethyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 1431564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).