3-(2-fluorophenyl)-2-methyl-N-(3-oxo-4H-1,4-benzoxazin-8-yl)propanamide

C18H17FN2O3 — CID 110309220

IUPAC3-(2-fluorophenyl)-2-methyl-N-(3-oxo-4H-1,4-benzoxazin-8-yl)propanamide
SMILESCC(Cc1ccccc1F)C(=O)Nc1cccc2c1OCC(=O)N2
InChIInChI=1S/C18H17FN2O3/c1-11(9-12-5-2-3-6-13(12)19)18(23)21-15-8-4-7-14-17(15)24-10-16(22)20-14/h2-8,11H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyHAAKLLOESXAXIL-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.97
Rot. Bonds4

About 3-(2-fluorophenyl)-2-methyl-N-(3-oxo-4H-1,4-benzoxazin-8-yl)propanamide

3-(2-fluorophenyl)-2-methyl-N-(3-oxo-4H-1,4-benzoxazin-8-yl)propanamide (PubChem CID 110309220) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-methyl-N-(3-oxo-4H-1,4-benzoxazin-8-yl)propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-methyl-N-(3-oxo-4H-1,4-benzoxazin-8-yl)propanamide
PubChem CID110309220
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name3-(2-fluorophenyl)-2-methyl-N-(3-oxo-4H-1,4-benzoxazin-8-yl)propanamide
SMILESCC(Cc1ccccc1F)C(=O)Nc1cccc2c1OCC(=O)N2
InChIInChI=1S/C18H17FN2O3/c1-11(9-12-5-2-3-6-13(12)19)18(23)21-15-8-4-7-14-17(15)24-10-16(22)20-14/h2-8,11H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyHAAKLLOESXAXIL-UHFFFAOYSA-N
XLogP2.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-(2-fluorophenyl)propanamide
CID 110729780
1-[(6-methyl-2-propan-2-yloxy-3-pyridinyl)methyl]-3-(3-oxo-4H-1,4-benzoxazin-8-yl)urea
CID 53476703
3-(4-chlorophenyl)-3-methyl-N-(3-oxo-4H-1,4-benzoxazin-8-yl)butanamide
CID 110309247
1-[[2-(dimethylamino)-4-(trifluoromethyl)phenyl]methyl]-3-(3-oxo-4H-1,4-benzoxazin-8-yl)urea
CID 53476470
N-(3-methylbutyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701561
2-(4-morpholin-4-ylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide
CID 110630261
2-fluoro-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzamide
CID 110729628
2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide
CID 110630221
3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-8-carboxamide
CID 110701488
N-(3-oxo-4H-1,4-benzoxazin-8-yl)oxane-2-carboxamide
CID 126797223
3-oxo-N-(2,3,4-trifluorophenyl)-4H-1,4-benzoxazine-8-carboxamide
CID 110701657
5-chloro-2-[[3-(2-fluorophenyl)-2-methylpropanoyl]amino]benzoic acid
CID 141008013

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2-methyl-N-(3-oxo-4H-1,4-benzoxazin-8-yl)propanamide?
The IUPAC name of 3-(2-fluorophenyl)-2-methyl-N-(3-oxo-4H-1,4-benzoxazin-8-yl)propanamide (CID 110309220) is 3-(2-fluorophenyl)-2-methyl-N-(3-oxo-4H-1,4-benzoxazin-8-yl)propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-2-methyl-N-(3-oxo-4H-1,4-benzoxazin-8-yl)propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-2-methyl-N-(3-oxo-4H-1,4-benzoxazin-8-yl)propanamide is CC(Cc1ccccc1F)C(=O)Nc1cccc2c1OCC(=O)N2.
What is the InChIKey of 3-(2-fluorophenyl)-2-methyl-N-(3-oxo-4H-1,4-benzoxazin-8-yl)propanamide?
The InChIKey is HAAKLLOESXAXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-11(9-12-5-2-3-6-13(12)19)18(23)21-15-8-4-7-14-17(15)24-10-16(22)20-14/h2-8,11H,9-10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 3-(2-fluorophenyl)-2-methyl-N-(3-oxo-4H-1,4-benzoxazin-8-yl)propanamide?
3-(2-fluorophenyl)-2-methyl-N-(3-oxo-4H-1,4-benzoxazin-8-yl)propanamide has a molecular weight of 328.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2-methyl-N-(3-oxo-4H-1,4-benzoxazin-8-yl)propanamide is sourced from PubChem (CID 110309220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).