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

C17H15FN2O4 — CID 17011277

IUPAC2-(4-fluorophenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
SMILESCC(Oc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C17H15FN2O4/c1-10(24-13-5-2-11(18)3-6-13)17(22)19-12-4-7-15-14(8-12)20-16(21)9-23-15/h2-8,10H,9H2,1H3,(H,19,22)(H,20,21)
InChIKeyYVUKFIOSOKDHQV-UHFFFAOYSA-N
MW330.32 g/mol
LogP2.56
Rot. Bonds4

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

2-(4-fluorophenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide (PubChem CID 17011277) has the molecular formula C17H15FN2O4 and a molecular weight of 330.32 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
PubChem CID17011277
Molecular FormulaC17H15FN2O4
Molecular Weight330.32 g/mol
Exact Mass330.10
IUPAC Name2-(4-fluorophenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
SMILESCC(Oc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C17H15FN2O4/c1-10(24-13-5-2-11(18)3-6-13)17(22)19-12-4-7-15-14(8-12)20-16(21)9-23-15/h2-8,10H,9H2,1H3,(H,19,22)(H,20,21)
InChIKeyYVUKFIOSOKDHQV-UHFFFAOYSA-N
XLogP2.56
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluorophenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
(2S)-2-(4-fluorophenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 35573493
(2R)-2-(4-fluorophenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 35573491
(2S)-2-(2-methoxyphenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 34949890
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluorophenoxy)propanamide
CID 7894309
6-[1-(4-fluorophenyl)ethylamino]-4H-1,4-benzoxazin-3-one
CID 43181500
(2R)-2-(4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 26700139
(E)-3-[4-(difluoromethoxy)phenyl]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)prop-2-enamide
CID 51153400
methyl 2-oxo-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]acetate
CID 115142185
2-amino-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide
CID 61250377
2-amino-4-methoxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 62477125

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide (CID 17011277) is 2-(4-fluorophenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide is CC(Oc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
The InChIKey is YVUKFIOSOKDHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O4/c1-10(24-13-5-2-11(18)3-6-13)17(22)19-12-4-7-15-14(8-12)20-16(21)9-23-15/h2-8,10H,9H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 2-(4-fluorophenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
2-(4-fluorophenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide has a molecular weight of 330.32 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide is sourced from PubChem (CID 17011277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).