3-(4-chlorophenyl)-3-methyl-N-(3-oxo-4H-1,4-benzoxazin-8-yl)butanamide

C19H19ClN2O3 — CID 110309247

IUPAC3-(4-chlorophenyl)-3-methyl-N-(3-oxo-4H-1,4-benzoxazin-8-yl)butanamide
SMILESCC(C)(CC(=O)Nc1cccc2c1OCC(=O)N2)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O3/c1-19(2,12-6-8-13(20)9-7-12)10-16(23)21-14-4-3-5-15-18(14)25-11-17(24)22-15/h3-9H,10-11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyLDLOYSJLGIIILC-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.98
Rot. Bonds4

About 3-(4-chlorophenyl)-3-methyl-N-(3-oxo-4H-1,4-benzoxazin-8-yl)butanamide

3-(4-chlorophenyl)-3-methyl-N-(3-oxo-4H-1,4-benzoxazin-8-yl)butanamide (PubChem CID 110309247) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-methyl-N-(3-oxo-4H-1,4-benzoxazin-8-yl)butanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-methyl-N-(3-oxo-4H-1,4-benzoxazin-8-yl)butanamide
PubChem CID110309247
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Name3-(4-chlorophenyl)-3-methyl-N-(3-oxo-4H-1,4-benzoxazin-8-yl)butanamide
SMILESCC(C)(CC(=O)Nc1cccc2c1OCC(=O)N2)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O3/c1-19(2,12-6-8-13(20)9-7-12)10-16(23)21-14-4-3-5-15-18(14)25-11-17(24)22-15/h3-9H,10-11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyLDLOYSJLGIIILC-UHFFFAOYSA-N
XLogP3.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-methyl-N-(3-oxo-4H-1,4-benzoxazin-8-yl)butanamide?
The IUPAC name of 3-(4-chlorophenyl)-3-methyl-N-(3-oxo-4H-1,4-benzoxazin-8-yl)butanamide (CID 110309247) is 3-(4-chlorophenyl)-3-methyl-N-(3-oxo-4H-1,4-benzoxazin-8-yl)butanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-3-methyl-N-(3-oxo-4H-1,4-benzoxazin-8-yl)butanamide?
The canonical SMILES for 3-(4-chlorophenyl)-3-methyl-N-(3-oxo-4H-1,4-benzoxazin-8-yl)butanamide is CC(C)(CC(=O)Nc1cccc2c1OCC(=O)N2)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-3-methyl-N-(3-oxo-4H-1,4-benzoxazin-8-yl)butanamide?
The InChIKey is LDLOYSJLGIIILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-19(2,12-6-8-13(20)9-7-12)10-16(23)21-14-4-3-5-15-18(14)25-11-17(24)22-15/h3-9H,10-11H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 3-(4-chlorophenyl)-3-methyl-N-(3-oxo-4H-1,4-benzoxazin-8-yl)butanamide?
3-(4-chlorophenyl)-3-methyl-N-(3-oxo-4H-1,4-benzoxazin-8-yl)butanamide has a molecular weight of 358.83 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-methyl-N-(3-oxo-4H-1,4-benzoxazin-8-yl)butanamide is sourced from PubChem (CID 110309247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).