N-[4-(5-bromo-2-fluorophenyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]benzamide

C17H14BrFN2O2 — CID 144693149

IUPACN-[4-(5-bromo-2-fluorophenyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]benzamide
SMILESO=C(NC1=NC(c2cc(Br)ccc2F)CCO1)c1ccccc1
InChIInChI=1S/C17H14BrFN2O2/c18-12-6-7-14(19)13(10-12)15-8-9-23-17(20-15)21-16(22)11-4-2-1-3-5-11/h1-7,10,15H,8-9H2,(H,20,21,22)
InChIKeyLXGMUEQUEKRQFT-UHFFFAOYSA-N
MW377.21 g/mol
LogP3.84
Rot. Bonds2

About N-[4-(5-bromo-2-fluorophenyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]benzamide

N-[4-(5-bromo-2-fluorophenyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]benzamide (PubChem CID 144693149) has the molecular formula C17H14BrFN2O2 and a molecular weight of 377.21 g/mol. Its IUPAC name is N-[4-(5-bromo-2-fluorophenyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-(5-bromo-2-fluorophenyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]benzamide
PubChem CID144693149
Molecular FormulaC17H14BrFN2O2
Molecular Weight377.21 g/mol
Exact Mass376.02
IUPAC NameN-[4-(5-bromo-2-fluorophenyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]benzamide
SMILESO=C(NC1=NC(c2cc(Br)ccc2F)CCO1)c1ccccc1
InChIInChI=1S/C17H14BrFN2O2/c18-12-6-7-14(19)13(10-12)15-8-9-23-17(20-15)21-16(22)11-4-2-1-3-5-11/h1-7,10,15H,8-9H2,(H,20,21,22)
InChIKeyLXGMUEQUEKRQFT-UHFFFAOYSA-N
XLogP3.84
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.21
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-aminophenyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]benzamide
CID 144698632
N-[(5R,6R)-5-(5-bromo-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-yl]benzamide
CID 90441791
N-[(5R,6S)-5-(5-bromo-2-fluorophenyl)-5-(difluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-yl]benzamide
CID 126754914
N-[(4S,6S)-4-(5-bromo-2-fluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide
CID 86732116
N-[(1R,5S,6R)-5-(5-bromo-2-fluorophenyl)-5-(methoxymethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-yl]benzamide
CID 122580942
N-[(4aS,5S,7aS)-7a-(5-bromo-2-fluorophenyl)-5-(cyclopropanecarbonyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide
CID 122502837
4-bromo-N-(5-bromo-2-fluorophenyl)benzamide
CID 43555883
N-[(4-bromo-2-fluorophenyl)carbamoyl]benzamide
CID 2985483
N-(5-bromo-2-fluorophenyl)pyridine-3-carboxamide;hydrochloride
CID 110779489
N-(4-bromo-2-iodophenyl)benzamide
CID 3321693
N-(5-bromo-2-fluorophenyl)pyridine-4-carboxamide
CID 110779492
2-(5-bromo-2-fluorophenyl)cyclopentane-1-carboxylic acid
CID 81007752

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-bromo-2-fluorophenyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]benzamide?
The IUPAC name of N-[4-(5-bromo-2-fluorophenyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]benzamide (CID 144693149) is N-[4-(5-bromo-2-fluorophenyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]benzamide.
What is the SMILES notation for N-[4-(5-bromo-2-fluorophenyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]benzamide?
The canonical SMILES for N-[4-(5-bromo-2-fluorophenyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]benzamide is O=C(NC1=NC(c2cc(Br)ccc2F)CCO1)c1ccccc1.
What is the InChIKey of N-[4-(5-bromo-2-fluorophenyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]benzamide?
The InChIKey is LXGMUEQUEKRQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN2O2/c18-12-6-7-14(19)13(10-12)15-8-9-23-17(20-15)21-16(22)11-4-2-1-3-5-11/h1-7,10,15H,8-9H2,(H,20,21,22).
What are the key properties of N-[4-(5-bromo-2-fluorophenyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]benzamide?
N-[4-(5-bromo-2-fluorophenyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]benzamide has a molecular weight of 377.21 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-bromo-2-fluorophenyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]benzamide is sourced from PubChem (CID 144693149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).