N-[(4-fluorophenyl)methyl]-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide

C18H17FN2O3 — CID 5308426

IUPACN-[(4-fluorophenyl)methyl]-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
SMILESCc1ccc2c(c1)NC(=O)C(CC(=O)NCc1ccc(F)cc1)O2
InChIInChI=1S/C18H17FN2O3/c1-11-2-7-15-14(8-11)21-18(23)16(24-15)9-17(22)20-10-12-3-5-13(19)6-4-12/h2-8,16H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyBYDHRBPYVBAPHB-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.54
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide

N-[(4-fluorophenyl)methyl]-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide (PubChem CID 5308426) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
PubChem CID5308426
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
SMILESCc1ccc2c(c1)NC(=O)C(CC(=O)NCc1ccc(F)cc1)O2
InChIInChI=1S/C18H17FN2O3/c1-11-2-7-15-14(8-11)21-18(23)16(24-15)9-17(22)20-10-12-3-5-13(19)6-4-12/h2-8,16H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyBYDHRBPYVBAPHB-UHFFFAOYSA-N
XLogP2.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide (CID 5308426) is N-[(4-fluorophenyl)methyl]-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide is Cc1ccc2c(c1)NC(=O)C(CC(=O)NCc1ccc(F)cc1)O2.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
The InChIKey is BYDHRBPYVBAPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-11-2-7-15-14(8-11)21-18(23)16(24-15)9-17(22)20-10-12-3-5-13(19)6-4-12/h2-8,16H,9-10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
N-[(4-fluorophenyl)methyl]-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide has a molecular weight of 328.34 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide is sourced from PubChem (CID 5308426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).