(2R)-2-(4-fluorophenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide

C18H17FN2O4 — CID 35573491

IUPAC(2R)-2-(4-fluorophenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
SMILESCC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C18H17FN2O4/c1-2-15(25-13-6-3-11(19)4-7-13)18(23)20-12-5-8-16-14(9-12)21-17(22)10-24-16/h3-9,15H,2,10H2,1H3,(H,20,23)(H,21,22)/t15-/m1/s1
InChIKeyXRSXQPSRBACEJV-OAHLLOKOSA-N
MW344.34 g/mol
LogP2.95
Rot. Bonds5

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

(2R)-2-(4-fluorophenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide (PubChem CID 35573491) has the molecular formula C18H17FN2O4 and a molecular weight of 344.34 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
PubChem CID35573491
Molecular FormulaC18H17FN2O4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC Name(2R)-2-(4-fluorophenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
SMILESCC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C18H17FN2O4/c1-2-15(25-13-6-3-11(19)4-7-13)18(23)20-12-5-8-16-14(9-12)21-17(22)10-24-16/h3-9,15H,2,10H2,1H3,(H,20,23)(H,21,22)/t15-/m1/s1
InChIKeyXRSXQPSRBACEJV-OAHLLOKOSA-N
XLogP2.95
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-fluorophenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 35573493
2-(4-fluorophenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 17011277
(2R)-2-(4-ethylphenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 35181696
2-(4-ethylphenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 43843044
2-amino-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide
CID 61250377
(2S)-2-(2-methoxyphenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 34949890
(2S)-2-(4-fluorophenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 99131421
2-(4-fluorophenoxy)-N-(3-methylphenyl)butanamide
CID 53284409
2-(4-fluorophenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 43876065
(E)-3-[4-(difluoromethoxy)phenyl]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)prop-2-enamide
CID 51153400
(2S)-2-(4-fluorophenoxy)-N-[3-(trifluoromethyl)phenyl]butanamide
CID 28578484
(2S)-N-(3,5-dichlorophenyl)-2-(4-fluorophenoxy)butanamide
CID 94020016

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide?
The IUPAC name of (2R)-2-(4-fluorophenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide (CID 35573491) is (2R)-2-(4-fluorophenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide.
What is the SMILES notation for (2R)-2-(4-fluorophenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide?
The canonical SMILES for (2R)-2-(4-fluorophenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide is CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of (2R)-2-(4-fluorophenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide?
The InChIKey is XRSXQPSRBACEJV-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H17FN2O4/c1-2-15(25-13-6-3-11(19)4-7-13)18(23)20-12-5-8-16-14(9-12)21-17(22)10-24-16/h3-9,15H,2,10H2,1H3,(H,20,23)(H,21,22)/t15-/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide?
(2R)-2-(4-fluorophenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide has a molecular weight of 344.34 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide is sourced from PubChem (CID 35573491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).