(4R)-4-(4-bromo-2-chlorophenyl)-1,3-oxazinan-2-one;hydrochloride

C10H10BrCl2NO2 — CID 171184995

IUPAC(4R)-4-(4-bromo-2-chlorophenyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCl.O=C1N[C@@H](c2ccc(Br)cc2Cl)CCO1
InChIInChI=1S/C10H9BrClNO2.ClH/c11-6-1-2-7(8(12)5-6)9-3-4-15-10(14)13-9;/h1-2,5,9H,3-4H2,(H,13,14);1H/t9-;/m1./s1
InChIKeyTWGVWBZJUIOUBO-SBSPUUFOSA-N
MW327.01 g/mol
LogP3.70
Rot. Bonds1

About (4R)-4-(4-bromo-2-chlorophenyl)-1,3-oxazinan-2-one;hydrochloride

(4R)-4-(4-bromo-2-chlorophenyl)-1,3-oxazinan-2-one;hydrochloride (PubChem CID 171184995) has the molecular formula C10H10BrCl2NO2 and a molecular weight of 327.01 g/mol. Its IUPAC name is (4R)-4-(4-bromo-2-chlorophenyl)-1,3-oxazinan-2-one;hydrochloride.

Molecular Properties

Compound Name(4R)-4-(4-bromo-2-chlorophenyl)-1,3-oxazinan-2-one;hydrochloride
PubChem CID171184995
Molecular FormulaC10H10BrCl2NO2
Molecular Weight327.01 g/mol
Exact Mass324.93
IUPAC Name(4R)-4-(4-bromo-2-chlorophenyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCl.O=C1N[C@@H](c2ccc(Br)cc2Cl)CCO1
InChIInChI=1S/C10H9BrClNO2.ClH/c11-6-1-2-7(8(12)5-6)9-3-4-15-10(14)13-9;/h1-2,5,9H,3-4H2,(H,13,14);1H/t9-;/m1./s1
InChIKeyTWGVWBZJUIOUBO-SBSPUUFOSA-N
XLogP3.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.01
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-(4-bromo-2-chlorophenyl)-1,3-oxazinan-2-one
CID 131592741
(4S)-4-(2,4-dichlorophenyl)-1,3-oxazinan-2-one
CID 171185910
(4R)-4-(4-bromo-2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185028
(4R)-4-(2-bromo-4-methylphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184970
(4R)-4-[5-bromo-2-(trifluoromethoxy)phenyl]-1,3-oxazinan-2-one;hydrochloride
CID 171185142
(4R)-4-(5-bromo-2-ethoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185097
(4S)-4-(4-bromo-2-chlorophenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171187996
(4R)-4-(2-bromophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184817
(4S)-4-(3-bromo-4-chlorophenyl)-1,3-oxazinan-2-one
CID 131626496
4-(3-chloro-4-pyridinyl)-1,3-oxazinan-2-one
CID 130150204
(4R)-4-(3-bromo-2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184969
(2S)-2-(4-bromo-2-chlorophenyl)azetidine
CID 130624540

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-bromo-2-chlorophenyl)-1,3-oxazinan-2-one;hydrochloride?
The IUPAC name of (4R)-4-(4-bromo-2-chlorophenyl)-1,3-oxazinan-2-one;hydrochloride (CID 171184995) is (4R)-4-(4-bromo-2-chlorophenyl)-1,3-oxazinan-2-one;hydrochloride.
What is the SMILES notation for (4R)-4-(4-bromo-2-chlorophenyl)-1,3-oxazinan-2-one;hydrochloride?
The canonical SMILES for (4R)-4-(4-bromo-2-chlorophenyl)-1,3-oxazinan-2-one;hydrochloride is Cl.O=C1N[C@@H](c2ccc(Br)cc2Cl)CCO1.
What is the InChIKey of (4R)-4-(4-bromo-2-chlorophenyl)-1,3-oxazinan-2-one;hydrochloride?
The InChIKey is TWGVWBZJUIOUBO-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H9BrClNO2.ClH/c11-6-1-2-7(8(12)5-6)9-3-4-15-10(14)13-9;/h1-2,5,9H,3-4H2,(H,13,14);1H/t9-;/m1./s1.
What are the key properties of (4R)-4-(4-bromo-2-chlorophenyl)-1,3-oxazinan-2-one;hydrochloride?
(4R)-4-(4-bromo-2-chlorophenyl)-1,3-oxazinan-2-one;hydrochloride has a molecular weight of 327.01 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-bromo-2-chlorophenyl)-1,3-oxazinan-2-one;hydrochloride is sourced from PubChem (CID 171184995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).