N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide

C13H14BrFN2O3 — CID 71974021

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide
SMILESO=C(CN1CCCOC1=O)NCc1cc(F)ccc1Br
InChIInChI=1S/C13H14BrFN2O3/c14-11-3-2-10(15)6-9(11)7-16-12(18)8-17-4-1-5-20-13(17)19/h2-3,6H,1,4-5,7-8H2,(H,16,18)
InChIKeyQLNSGYWKAJTNKX-UHFFFAOYSA-N
MW345.17 g/mol
LogP2.05
Rot. Bonds4

About N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide

N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide (PubChem CID 71974021) has the molecular formula C13H14BrFN2O3 and a molecular weight of 345.17 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide
PubChem CID71974021
Molecular FormulaC13H14BrFN2O3
Molecular Weight345.17 g/mol
Exact Mass344.02
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide
SMILESO=C(CN1CCCOC1=O)NCc1cc(F)ccc1Br
InChIInChI=1S/C13H14BrFN2O3/c14-11-3-2-10(15)6-9(11)7-16-12(18)8-17-4-1-5-20-13(17)19/h2-3,6H,1,4-5,7-8H2,(H,16,18)
InChIKeyQLNSGYWKAJTNKX-UHFFFAOYSA-N
XLogP2.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.17
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]acetamide
CID 63679531
N-[(2-methoxyphenyl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 110686502
N-[(2-bromo-5-fluorophenyl)methyl]butanamide
CID 61062956
2-(2-oxo-1,3-oxazinan-3-yl)acetohydrazide
CID 130710751
N-[(4-chlorophenyl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 110686501
1-[2-[(2-bromo-5-fluorophenyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 61016742
2-amino-N-[2-[(2-bromo-5-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 54902515
N-[(2-bromo-5-fluorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55900603
methyl 4-[(2-bromo-5-fluorophenyl)methylamino]-4-oxobutanoate
CID 47312249
N-[(2-bromo-5-fluorophenyl)methyl]-3-(cyclopropylamino)propanamide
CID 54902470
N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 55900087
N-(2-bromo-5-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 113255444

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide (CID 71974021) is N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide is O=C(CN1CCCOC1=O)NCc1cc(F)ccc1Br.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide?
The InChIKey is QLNSGYWKAJTNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2O3/c14-11-3-2-10(15)6-9(11)7-16-12(18)8-17-4-1-5-20-13(17)19/h2-3,6H,1,4-5,7-8H2,(H,16,18).
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide?
N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide has a molecular weight of 345.17 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide is sourced from PubChem (CID 71974021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).