4-bromo-2-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide

C16H12BrFN2O3 — CID 18090700

IUPAC4-bromo-2-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
SMILESCC1Oc2ccc(NC(=O)c3ccc(Br)cc3F)cc2NC1=O
InChIInChI=1S/C16H12BrFN2O3/c1-8-15(21)20-13-7-10(3-5-14(13)23-8)19-16(22)11-4-2-9(17)6-12(11)18/h2-8H,1H3,(H,19,22)(H,20,21)
InChIKeyMYZYIWLTMVYOSM-UHFFFAOYSA-N
MW379.19 g/mol
LogP3.56
Rot. Bonds2

About 4-bromo-2-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide

4-bromo-2-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide (PubChem CID 18090700) has the molecular formula C16H12BrFN2O3 and a molecular weight of 379.19 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
PubChem CID18090700
Molecular FormulaC16H12BrFN2O3
Molecular Weight379.19 g/mol
Exact Mass378.00
IUPAC Name4-bromo-2-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
SMILESCC1Oc2ccc(NC(=O)c3ccc(Br)cc3F)cc2NC1=O
InChIInChI=1S/C16H12BrFN2O3/c1-8-15(21)20-13-7-10(3-5-14(13)23-8)19-16(22)11-4-2-9(17)6-12(11)18/h2-8H,1H3,(H,19,22)(H,20,21)
InChIKeyMYZYIWLTMVYOSM-UHFFFAOYSA-N
XLogP3.56
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.19
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 17413196
2-bromo-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide
CID 40810154
2-hydroxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 18129767
4-bromo-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1H-pyrrole-2-carboxamide
CID 18129806
5-chloro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)furan-2-carboxamide
CID 46516497
(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid
CID 115170648
3-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 18129774
2,4-dimethoxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 17392422
4-chloro-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-nitrobenzamide
CID 9145041
5-(4-bromophenyl)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1,2-oxazole-3-carboxamide
CID 35576314
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-1-carboxamide
CID 41096038
3-methoxy-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide
CID 9145079

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide?
The IUPAC name of 4-bromo-2-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide (CID 18090700) is 4-bromo-2-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide is CC1Oc2ccc(NC(=O)c3ccc(Br)cc3F)cc2NC1=O.
What is the InChIKey of 4-bromo-2-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide?
The InChIKey is MYZYIWLTMVYOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2O3/c1-8-15(21)20-13-7-10(3-5-14(13)23-8)19-16(22)11-4-2-9(17)6-12(11)18/h2-8H,1H3,(H,19,22)(H,20,21).
What are the key properties of 4-bromo-2-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide?
4-bromo-2-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide has a molecular weight of 379.19 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide is sourced from PubChem (CID 18090700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).