(2R)-2-(2-fluorophenoxy)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide

C18H17FN2O4 — CID 51583881

IUPAC(2R)-2-(2-fluorophenoxy)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide
SMILESC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2
InChIInChI=1S/C18H17FN2O4/c1-11(25-15-6-4-3-5-13(15)19)18(23)20-12-7-8-16-14(9-12)21(2)17(22)10-24-16/h3-9,11H,10H2,1-2H3,(H,20,23)/t11-/m1/s1
InChIKeyKTBWMUIIUFFDMF-LLVKDONJSA-N
MW344.34 g/mol
LogP2.59
Rot. Bonds4

About (2R)-2-(2-fluorophenoxy)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide

(2R)-2-(2-fluorophenoxy)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide (PubChem CID 51583881) has the molecular formula C18H17FN2O4 and a molecular weight of 344.34 g/mol. Its IUPAC name is (2R)-2-(2-fluorophenoxy)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2-fluorophenoxy)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide
PubChem CID51583881
Molecular FormulaC18H17FN2O4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC Name(2R)-2-(2-fluorophenoxy)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide
SMILESC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2
InChIInChI=1S/C18H17FN2O4/c1-11(25-15-6-4-3-5-13(15)19)18(23)20-12-7-8-16-14(9-12)21(2)17(22)10-24-16/h3-9,11H,10H2,1-2H3,(H,20,23)/t11-/m1/s1
InChIKeyKTBWMUIIUFFDMF-LLVKDONJSA-N
XLogP2.59
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide
CID 115179617
3-(2-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide
CID 110778123
(2S)-2-amino-3,3-dimethyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide;hydrochloride
CID 119781420
N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N'-[(2S)-4-phenylbutan-2-yl]oxamide
CID 51971211
2-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pentanamide;hydrochloride
CID 119322353
(2R)-2-(2-fluorophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 7815253
3-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide;hydrochloride
CID 119781434
(2S)-N-(3-chlorophenyl)-2-(2-fluorophenoxy)propanamide
CID 887599
(2R)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenoxy)propanamide
CID 31901152
N-(2,6-difluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110763933
4-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide
CID 82501321
(2S)-2-(2-methoxyphenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 34949890

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-fluorophenoxy)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide?
The IUPAC name of (2R)-2-(2-fluorophenoxy)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide (CID 51583881) is (2R)-2-(2-fluorophenoxy)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide.
What is the SMILES notation for (2R)-2-(2-fluorophenoxy)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide?
The canonical SMILES for (2R)-2-(2-fluorophenoxy)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide is C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2.
What is the InChIKey of (2R)-2-(2-fluorophenoxy)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide?
The InChIKey is KTBWMUIIUFFDMF-LLVKDONJSA-N. The full InChI is InChI=1S/C18H17FN2O4/c1-11(25-15-6-4-3-5-13(15)19)18(23)20-12-7-8-16-14(9-12)21(2)17(22)10-24-16/h3-9,11H,10H2,1-2H3,(H,20,23)/t11-/m1/s1.
What are the key properties of (2R)-2-(2-fluorophenoxy)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide?
(2R)-2-(2-fluorophenoxy)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide has a molecular weight of 344.34 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-fluorophenoxy)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide is sourced from PubChem (CID 51583881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).