N-(4-acetylphenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide

C18H15ClN2O4 — CID 1091399

IUPACN-(4-acetylphenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)cc1
InChIInChI=1S/C18H15ClN2O4/c1-11(22)12-2-5-14(6-3-12)20-17(23)9-21-15-8-13(19)4-7-16(15)25-10-18(21)24/h2-8H,9-10H2,1H3,(H,20,23)
InChIKeyIZOKKEPXPWMIKU-UHFFFAOYSA-N
MW358.78 g/mol
LogP2.91
Rot. Bonds4

About N-(4-acetylphenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide

N-(4-acetylphenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 1091399) has the molecular formula C18H15ClN2O4 and a molecular weight of 358.78 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID1091399
Molecular FormulaC18H15ClN2O4
Molecular Weight358.78 g/mol
Exact Mass358.07
IUPAC NameN-(4-acetylphenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)cc1
InChIInChI=1S/C18H15ClN2O4/c1-11(22)12-2-5-14(6-3-12)20-17(23)9-21-15-8-13(19)4-7-16(15)25-10-18(21)24/h2-8H,9-10H2,1H3,(H,20,23)
InChIKeyIZOKKEPXPWMIKU-UHFFFAOYSA-N
XLogP2.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.78
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 1091399) is N-(4-acetylphenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide is CC(=O)c1ccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is IZOKKEPXPWMIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O4/c1-11(22)12-2-5-14(6-3-12)20-17(23)9-21-15-8-13(19)4-7-16(15)25-10-18(21)24/h2-8H,9-10H2,1H3,(H,20,23).
What are the key properties of N-(4-acetylphenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-(4-acetylphenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 358.78 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 1091399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).