N-(4-fluorophenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide

C18H17FN2O3 — CID 23409636

IUPACN-(4-fluorophenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESCc1ccc2c(c1)N(C(C)C(=O)Nc1ccc(F)cc1)C(=O)CO2
InChIInChI=1S/C18H17FN2O3/c1-11-3-8-16-15(9-11)21(17(22)10-24-16)12(2)18(23)20-14-6-4-13(19)5-7-14/h3-9,12H,10H2,1-2H3,(H,20,23)
InChIKeyZGGANNOQHFYAAW-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.89
Rot. Bonds3

About N-(4-fluorophenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide

N-(4-fluorophenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide (PubChem CID 23409636) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
PubChem CID23409636
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC NameN-(4-fluorophenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESCc1ccc2c(c1)N(C(C)C(=O)Nc1ccc(F)cc1)C(=O)CO2
InChIInChI=1S/C18H17FN2O3/c1-11-3-8-16-15(9-11)21(17(22)10-24-16)12(2)18(23)20-14-6-4-13(19)5-7-14/h3-9,12H,10H2,1-2H3,(H,20,23)
InChIKeyZGGANNOQHFYAAW-UHFFFAOYSA-N
XLogP2.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methylphenyl)propanamide
CID 40978595
2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 23409734
N-(3-chloro-4-methoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 23409886
2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid
CID 3291345
N-[(2-ethoxyphenyl)methyl]-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 22427061
2-(3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 23409730
(2S)-N-cyclohexyl-2-[6-[2-(4-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]propanamide
CID 93319329
4-(1-aminopropan-2-yl)-6-methyl-1,4-benzoxazin-3-one
CID 82143007
2-[6-[2-(2-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(4-methoxyphenyl)propanamide
CID 42846396
(2S)-2-[6-[2-(4-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(3-methylbutyl)propanamide
CID 93319294
(2R)-2-[6-[2-(4-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(3-methylbutyl)propanamide
CID 93319293
(2S)-2-(3-oxo-1,4-benzoxazin-4-yl)-N'-[(2S)-2-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]propanehydrazide
CID 40963421

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide?
The IUPAC name of N-(4-fluorophenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide (CID 23409636) is N-(4-fluorophenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide is Cc1ccc2c(c1)N(C(C)C(=O)Nc1ccc(F)cc1)C(=O)CO2.
What is the InChIKey of N-(4-fluorophenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide?
The InChIKey is ZGGANNOQHFYAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-11-3-8-16-15(9-11)21(17(22)10-24-16)12(2)18(23)20-14-6-4-13(19)5-7-14/h3-9,12H,10H2,1-2H3,(H,20,23).
What are the key properties of N-(4-fluorophenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide?
N-(4-fluorophenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide has a molecular weight of 328.34 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide is sourced from PubChem (CID 23409636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).