3-(2-fluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)propanamide

C18H17FN2O3 — CID 110713436

IUPAC3-(2-fluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)propanamide
SMILESCC1Oc2cccc(NC(=O)CCc3ccccc3F)c2NC1=O
InChIInChI=1S/C18H17FN2O3/c1-11-18(23)21-17-14(7-4-8-15(17)24-11)20-16(22)10-9-12-5-2-3-6-13(12)19/h2-8,11H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyJANGNWYRMQXETC-UHFFFAOYSA-N
MW328.34 g/mol
LogP3.12
Rot. Bonds4

About 3-(2-fluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)propanamide

3-(2-fluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)propanamide (PubChem CID 110713436) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)propanamide
PubChem CID110713436
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name3-(2-fluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)propanamide
SMILESCC1Oc2cccc(NC(=O)CCc3ccccc3F)c2NC1=O
InChIInChI=1S/C18H17FN2O3/c1-11-18(23)21-17-14(7-4-8-15(17)24-11)20-16(22)10-9-12-5-2-3-6-13(12)19/h2-8,11H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyJANGNWYRMQXETC-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxyphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)propanamide
CID 110713428
2-(1H-indol-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)acetamide
CID 110742135
3-(2-fluorophenyl)-N-(2-methylphenyl)propanamide
CID 9394717
2-(2-fluorophenyl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
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N-(2-chlorophenyl)-3-(2-fluorophenyl)propanamide
CID 9401009
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-(2-methylphenyl)propanamide
CID 110778176
1-[2-(2-fluorophenyl)ethyl]-3-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]urea
CID 129366717
N-[(2-fluorophenyl)methyl]-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770527
N-(2-benzylphenyl)-3-(2-fluorophenyl)propanamide
CID 9397387
N-cyclopropyl-2-[3-(2-fluorophenyl)propanoylamino]benzamide
CID 29353155
3-(2-fluorophenyl)-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]propanamide
CID 56791677
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)benzenesulfonamide
CID 110713456

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)propanamide (CID 110713436) is 3-(2-fluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)propanamide is CC1Oc2cccc(NC(=O)CCc3ccccc3F)c2NC1=O.
What is the InChIKey of 3-(2-fluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)propanamide?
The InChIKey is JANGNWYRMQXETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-11-18(23)21-17-14(7-4-8-15(17)24-11)20-16(22)10-9-12-5-2-3-6-13(12)19/h2-8,11H,9-10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 3-(2-fluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)propanamide?
3-(2-fluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)propanamide has a molecular weight of 328.34 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)propanamide is sourced from PubChem (CID 110713436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).