4-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzamide

C16H13FN2O3 — CID 110738398

IUPAC4-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzamide
SMILESO=C1COc2ccc(CNC(=O)c3ccc(F)cc3)cc2N1
InChIInChI=1S/C16H13FN2O3/c17-12-4-2-11(3-5-12)16(21)18-8-10-1-6-14-13(7-10)19-15(20)9-22-14/h1-7H,8-9H2,(H,18,21)(H,19,20)
InChIKeyLKWVXEBIDYMXPU-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.09
Rot. Bonds3

About 4-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzamide

4-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzamide (PubChem CID 110738398) has the molecular formula C16H13FN2O3 and a molecular weight of 300.29 g/mol. Its IUPAC name is 4-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzamide
PubChem CID110738398
Molecular FormulaC16H13FN2O3
Molecular Weight300.29 g/mol
Exact Mass300.09
IUPAC Name4-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzamide
SMILESO=C1COc2ccc(CNC(=O)c3ccc(F)cc3)cc2N1
InChIInChI=1S/C16H13FN2O3/c17-12-4-2-11(3-5-12)16(21)18-8-10-1-6-14-13(7-10)19-15(20)9-22-14/h1-7H,8-9H2,(H,18,21)(H,19,20)
InChIKeyLKWVXEBIDYMXPU-UHFFFAOYSA-N
XLogP2.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 53013560
3-(4-fluorophenyl)-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]propanamide
CID 110738439
N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 847892
N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-indole-5-carboxamide
CID 59802724
N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]quinoxaline-6-carboxamide
CID 59802654
4-methyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide
CID 110789900
N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110746360
2,2-dimethyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]propanamide
CID 110738388
3-oxo-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-4H-1,4-benzoxazine-6-carboxamide
CID 17464422
N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-2-pyridin-4-ylacetamide
CID 59802771
6-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110746339
N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3-(1H-pyrazol-5-yl)benzamide
CID 59802661

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzamide?
The IUPAC name of 4-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzamide (CID 110738398) is 4-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzamide is O=C1COc2ccc(CNC(=O)c3ccc(F)cc3)cc2N1.
What is the InChIKey of 4-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzamide?
The InChIKey is LKWVXEBIDYMXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3/c17-12-4-2-11(3-5-12)16(21)18-8-10-1-6-14-13(7-10)19-15(20)9-22-14/h1-7H,8-9H2,(H,18,21)(H,19,20).
What are the key properties of 4-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzamide?
4-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzamide has a molecular weight of 300.29 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzamide is sourced from PubChem (CID 110738398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).