4-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-(2-methoxyethyl)benzamide

C21H24FN3O3 — CID 50813792

IUPAC4-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(N2CCCN(Cc3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C21H24FN3O3/c1-28-14-11-23-20(26)17-5-9-19(10-6-17)25-13-2-12-24(21(25)27)15-16-3-7-18(22)8-4-16/h3-10H,2,11-15H2,1H3,(H,23,26)
InChIKeyYBXBWNTWZKXECI-UHFFFAOYSA-N
MW385.44 g/mol
LogP3.03
Rot. Bonds7

About 4-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-(2-methoxyethyl)benzamide

4-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-(2-methoxyethyl)benzamide (PubChem CID 50813792) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is 4-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name4-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-(2-methoxyethyl)benzamide
PubChem CID50813792
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC Name4-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(N2CCCN(Cc3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C21H24FN3O3/c1-28-14-11-23-20(26)17-5-9-19(10-6-17)25-13-2-12-24(21(25)27)15-16-3-7-18(22)8-4-16/h3-10H,2,11-15H2,1H3,(H,23,26)
InChIKeyYBXBWNTWZKXECI-UHFFFAOYSA-N
XLogP3.03
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-methoxybenzamide
CID 46040810
2-(4-fluorophenyl)-N-[4-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]acetamide
CID 46069592
4-[3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 50813814
N-(3-methoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide
CID 50813999
2,6-difluoro-N-[4-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide
CID 46069597
4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-phenylbenzamide
CID 50754409
N-(3-methoxypropyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 32686719
4-chloro-N-[4-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide
CID 42849031
N-(2-methylphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide
CID 50754330
4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(2-ethoxyphenyl)benzamide
CID 50754372
4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 50754186
N-[(4-chlorophenyl)methyl]-4-[3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide
CID 50754199

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 4-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-(2-methoxyethyl)benzamide (CID 50813792) is 4-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 4-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 4-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccc(N2CCCN(Cc3ccc(F)cc3)C2=O)cc1.
What is the InChIKey of 4-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-(2-methoxyethyl)benzamide?
The InChIKey is YBXBWNTWZKXECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c1-28-14-11-23-20(26)17-5-9-19(10-6-17)25-13-2-12-24(21(25)27)15-16-3-7-18(22)8-4-16/h3-10H,2,11-15H2,1H3,(H,23,26).
What are the key properties of 4-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-(2-methoxyethyl)benzamide?
4-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-(2-methoxyethyl)benzamide has a molecular weight of 385.44 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 50813792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).