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

C25H24FN3O3 — CID 46040810

IUPACN-[4-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCCN(Cc4ccc(F)cc4)C3=O)cc2)cc1
InChIInChI=1S/C25H24FN3O3/c1-32-23-13-5-19(6-14-23)24(30)27-21-9-11-22(12-10-21)29-16-2-15-28(25(29)31)17-18-3-7-20(26)8-4-18/h3-14H,2,15-17H2,1H3,(H,27,30)
InChIKeyGYPXKUUCLVDZHY-UHFFFAOYSA-N
MW433.48 g/mol
LogP4.92
Rot. Bonds6

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

N-[4-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-methoxybenzamide (PubChem CID 46040810) has the molecular formula C25H24FN3O3 and a molecular weight of 433.48 g/mol. Its IUPAC name is N-[4-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-methoxybenzamide
PubChem CID46040810
Molecular FormulaC25H24FN3O3
Molecular Weight433.48 g/mol
Exact Mass433.18
IUPAC NameN-[4-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCCN(Cc4ccc(F)cc4)C3=O)cc2)cc1
InChIInChI=1S/C25H24FN3O3/c1-32-23-13-5-19(6-14-23)24(30)27-21-9-11-22(12-10-21)29-16-2-15-28(25(29)31)17-18-3-7-20(26)8-4-18/h3-14H,2,15-17H2,1H3,(H,27,30)
InChIKeyGYPXKUUCLVDZHY-UHFFFAOYSA-N
XLogP4.92
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-[4-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]acetamide
CID 46069592
2,6-difluoro-N-[4-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide
CID 46069597
N-(3-methoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide
CID 50813999
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
4-chloro-N-[4-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide
CID 42849031
N-[4-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide
CID 46156673
N-[4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-methoxybenzamide
CID 42849025
N-[4-[3-[(2,5-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-3,5-dimethoxybenzamide
CID 42868666
4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-phenylbenzamide
CID 50754409
N-(4-methoxyphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 25482305
2-(4-methoxyphenyl)-N-[4-[2-oxo-3-[(4-propan-2-ylphenyl)methyl]-1,3-diazinan-1-yl]phenyl]acetamide
CID 46069673

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-methoxybenzamide?
The IUPAC name of N-[4-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-methoxybenzamide (CID 46040810) is N-[4-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[4-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(N3CCCN(Cc4ccc(F)cc4)C3=O)cc2)cc1.
What is the InChIKey of N-[4-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-methoxybenzamide?
The InChIKey is GYPXKUUCLVDZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O3/c1-32-23-13-5-19(6-14-23)24(30)27-21-9-11-22(12-10-21)29-16-2-15-28(25(29)31)17-18-3-7-20(26)8-4-18/h3-14H,2,15-17H2,1H3,(H,27,30).
What are the key properties of N-[4-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-methoxybenzamide?
N-[4-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-methoxybenzamide has a molecular weight of 433.48 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 46040810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).