2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide

C18H19ClN2O3 — CID 110001775

IUPAC2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
SMILESO=C(CN1CCOc2ccc(Cl)cc21)N[C@H](CO)c1ccccc1
InChIInChI=1S/C18H19ClN2O3/c19-14-6-7-17-16(10-14)21(8-9-24-17)11-18(23)20-15(12-22)13-4-2-1-3-5-13/h1-7,10,15,22H,8-9,11-12H2,(H,20,23)/t15-/m1/s1
InChIKeyRQAUDBAHRJFYKO-OAHLLOKOSA-N
MW346.81 g/mol
LogP2.39
Rot. Bonds5

About 2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide

2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide (PubChem CID 110001775) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
PubChem CID110001775
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
SMILESO=C(CN1CCOc2ccc(Cl)cc21)N[C@H](CO)c1ccccc1
InChIInChI=1S/C18H19ClN2O3/c19-14-6-7-17-16(10-14)21(8-9-24-17)11-18(23)20-15(12-22)13-4-2-1-3-5-13/h1-7,10,15,22H,8-9,11-12H2,(H,20,23)/t15-/m1/s1
InChIKeyRQAUDBAHRJFYKO-OAHLLOKOSA-N
XLogP2.39
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide with MolForge

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Related Compounds

2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-hydroxy-4-methylpentyl)acetamide
CID 111540254
2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-methylpyrimidin-2-yl)acetamide
CID 126770757
2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(1H-imidazol-2-ylmethyl)acetamide
CID 71984268
2-(4-chlorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 39394106
2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 71984676
4-[2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)acetyl]morpholine-2-carboxylic acid
CID 126770019
benzyl 6-chloro-2,3-dihydro-1,4-benzoxazine-4-carboxylate
CID 86287947
6-chloro-N-(2-hydroxy-1-phenylethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 110001475
2-(2,5-dichlorophenoxy)-N-(2-hydroxy-1-phenylethyl)acetamide
CID 110931209
N-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 100678867
2-(2-oxo-1,3-oxazolidin-3-yl)-N-(1-phenylethyl)acetamide
CID 110686496
4-chloro-2-hydroxy-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63182530

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide?
The IUPAC name of 2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide (CID 110001775) is 2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide?
The canonical SMILES for 2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide is O=C(CN1CCOc2ccc(Cl)cc21)N[C@H](CO)c1ccccc1.
What is the InChIKey of 2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide?
The InChIKey is RQAUDBAHRJFYKO-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c19-14-6-7-17-16(10-14)21(8-9-24-17)11-18(23)20-15(12-22)13-4-2-1-3-5-13/h1-7,10,15,22H,8-9,11-12H2,(H,20,23)/t15-/m1/s1.
What are the key properties of 2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide?
2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide has a molecular weight of 346.81 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide is sourced from PubChem (CID 110001775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).