N-benzyl-2-[(3R)-7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl]acetamide

C18H19FN2O2 — CID 95055944

IUPACN-benzyl-2-[(3R)-7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl]acetamide
SMILESCN1c2ccc(F)cc2OC[C@H]1CC(=O)NCc1ccccc1
InChIInChI=1S/C18H19FN2O2/c1-21-15(12-23-17-9-14(19)7-8-16(17)21)10-18(22)20-11-13-5-3-2-4-6-13/h2-9,15H,10-12H2,1H3,(H,20,22)/t15-/m1/s1
InChIKeyYDLKAKIMMOOUQA-OAHLLOKOSA-N
MW314.36 g/mol
LogP2.73
Rot. Bonds4

About N-benzyl-2-[(3R)-7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl]acetamide

N-benzyl-2-[(3R)-7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl]acetamide (PubChem CID 95055944) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is N-benzyl-2-[(3R)-7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(3R)-7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl]acetamide
PubChem CID95055944
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC NameN-benzyl-2-[(3R)-7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl]acetamide
SMILESCN1c2ccc(F)cc2OC[C@H]1CC(=O)NCc1ccccc1
InChIInChI=1S/C18H19FN2O2/c1-21-15(12-23-17-9-14(19)7-8-16(17)21)10-18(22)20-11-13-5-3-2-4-6-13/h2-9,15H,10-12H2,1H3,(H,20,22)/t15-/m1/s1
InChIKeyYDLKAKIMMOOUQA-OAHLLOKOSA-N
XLogP2.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[(3S)-7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl]acetamide
CID 95055943
N-benzyl-2-(7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)acetamide
CID 53034102
2-(4-benzyl-7-fluoro-2,3-dihydro-1,4-benzoxazin-3-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 53034046
2-[(3S)-4-benzyl-6-chloro-2,3-dihydro-1,4-benzoxazin-3-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 95055965
N-(4-fluorophenyl)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)acetamide
CID 53013642
N-benzyl-2-(4-benzyl-6-chloro-2,3-dihydro-1,4-benzoxazin-3-yl)acetamide
CID 53034093
7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carboxylic acid
CID 84621517
ethyl 2-[(3S)-4-benzyl-7-fluoro-2,3-dihydro-1,4-benzoxazin-3-yl]acetate
CID 92750204
2-[(3S)-4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 92710411
2-(7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)ethanamine
CID 84621374
2-(6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 53077894
2-(4-benzyl-7-fluoro-2,3-dihydro-1,4-benzoxazin-3-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 53077842

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(3R)-7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl]acetamide?
The IUPAC name of N-benzyl-2-[(3R)-7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl]acetamide (CID 95055944) is N-benzyl-2-[(3R)-7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[(3R)-7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl]acetamide?
The canonical SMILES for N-benzyl-2-[(3R)-7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl]acetamide is CN1c2ccc(F)cc2OC[C@H]1CC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(3R)-7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl]acetamide?
The InChIKey is YDLKAKIMMOOUQA-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-21-15(12-23-17-9-14(19)7-8-16(17)21)10-18(22)20-11-13-5-3-2-4-6-13/h2-9,15H,10-12H2,1H3,(H,20,22)/t15-/m1/s1.
What are the key properties of N-benzyl-2-[(3R)-7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl]acetamide?
N-benzyl-2-[(3R)-7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl]acetamide has a molecular weight of 314.36 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(3R)-7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl]acetamide is sourced from PubChem (CID 95055944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).