2-(4-fluorophenyl)-N-[4-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]acetamide

C26H26FN3O3 — CID 46069592

IUPAC2-(4-fluorophenyl)-N-[4-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]acetamide
SMILESCOc1ccc(CN2CCCN(c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)C2=O)cc1
InChIInChI=1S/C26H26FN3O3/c1-33-24-13-5-20(6-14-24)18-29-15-2-16-30(26(29)32)23-11-9-22(10-12-23)28-25(31)17-19-3-7-21(27)8-4-19/h3-14H,2,15-18H2,1H3,(H,28,31)
InChIKeyUNEPTSNUPIIBLX-UHFFFAOYSA-N
MW447.51 g/mol
LogP4.85
Rot. Bonds7

About 2-(4-fluorophenyl)-N-[4-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]acetamide

2-(4-fluorophenyl)-N-[4-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]acetamide (PubChem CID 46069592) has the molecular formula C26H26FN3O3 and a molecular weight of 447.51 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[4-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[4-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]acetamide
PubChem CID46069592
Molecular FormulaC26H26FN3O3
Molecular Weight447.51 g/mol
Exact Mass447.20
IUPAC Name2-(4-fluorophenyl)-N-[4-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]acetamide
SMILESCOc1ccc(CN2CCCN(c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)C2=O)cc1
InChIInChI=1S/C26H26FN3O3/c1-33-24-13-5-20(6-14-24)18-29-15-2-16-30(26(29)32)23-11-9-22(10-12-23)28-25(31)17-19-3-7-21(27)8-4-19/h3-14H,2,15-18H2,1H3,(H,28,31)
InChIKeyUNEPTSNUPIIBLX-UHFFFAOYSA-N
XLogP4.85
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-methoxyphenyl)-N-[4-[2-oxo-3-[(4-propan-2-ylphenyl)methyl]-1,3-diazinan-1-yl]phenyl]acetamide
CID 46069673
2,6-difluoro-N-[4-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide
CID 46069597
2-(4-fluorophenyl)-N-[3-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]acetamide
CID 46069971
N-[3-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-phenylacetamide
CID 46070051
2-(4-methoxyphenyl)-N-[3-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]acetamide
CID 46069929
N-(4-methoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9042283
1-[4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-(3-methoxyphenyl)urea
CID 46070693
N-[4-[3-[(2,5-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-3,5-dimethoxybenzamide
CID 42868666
2-(4-fluorophenyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687249
4-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-(2-methoxyethyl)benzamide
CID 50813792
N-[4-[3-[(3,4-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-3-methoxybenzamide
CID 46040877

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[4-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[4-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]acetamide (CID 46069592) is 2-(4-fluorophenyl)-N-[4-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[4-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[4-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]acetamide is COc1ccc(CN2CCCN(c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)C2=O)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[4-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]acetamide?
The InChIKey is UNEPTSNUPIIBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O3/c1-33-24-13-5-20(6-14-24)18-29-15-2-16-30(26(29)32)23-11-9-22(10-12-23)28-25(31)17-19-3-7-21(27)8-4-19/h3-14H,2,15-18H2,1H3,(H,28,31).
What are the key properties of 2-(4-fluorophenyl)-N-[4-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]acetamide?
2-(4-fluorophenyl)-N-[4-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]acetamide has a molecular weight of 447.51 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[4-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]acetamide is sourced from PubChem (CID 46069592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).