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

C25H24ClN3O3 — CID 46069795

IUPACN-[2-[3-[(2-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccccc1N1CCCN(Cc2ccccc2Cl)C1=O
InChIInChI=1S/C25H24ClN3O3/c1-32-23-14-7-3-10-19(23)24(30)27-21-12-5-6-13-22(21)29-16-8-15-28(25(29)31)17-18-9-2-4-11-20(18)26/h2-7,9-14H,8,15-17H2,1H3,(H,27,30)
InChIKeyOFYYIMOHPICNRW-UHFFFAOYSA-N
MW449.94 g/mol
LogP5.43
Rot. Bonds6

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

N-[2-[3-[(2-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-methoxybenzamide (PubChem CID 46069795) has the molecular formula C25H24ClN3O3 and a molecular weight of 449.94 g/mol. Its IUPAC name is N-[2-[3-[(2-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[3-[(2-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-methoxybenzamide
PubChem CID46069795
Molecular FormulaC25H24ClN3O3
Molecular Weight449.94 g/mol
Exact Mass449.15
IUPAC NameN-[2-[3-[(2-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccccc1N1CCCN(Cc2ccccc2Cl)C1=O
InChIInChI=1S/C25H24ClN3O3/c1-32-23-14-7-3-10-19(23)24(30)27-21-12-5-6-13-22(21)29-16-8-15-28(25(29)31)17-18-9-2-4-11-20(18)26/h2-7,9-14H,8,15-17H2,1H3,(H,27,30)
InChIKeyOFYYIMOHPICNRW-UHFFFAOYSA-N
XLogP5.43
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.94
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[3-[(2-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[3-[(2-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide
CID 46069786
N-[2-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-methoxybenzamide
CID 42868823
2-chloro-N-[2-[3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide
CID 46069876
N-[2-[3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-methoxybenzamide
CID 46070487
2-chloro-N-[2-[3-[(3,4-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide
CID 42868731
N-(4-amino-2-chloro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide
CID 50881913
2-methoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 935026
5-chloro-2-methoxy-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 17488699
1-[2-[3-[(2-chloro-5-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-3-(3-chlorophenyl)urea
CID 46070864
N-[2-[3-[(3,4-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-methoxybenzamide
CID 46069806
N-[2-(azepan-1-yl)phenyl]-2,3-dimethoxybenzamide
CID 55548838
2-chloro-N-(2-chlorophenyl)-3-methoxybenzamide
CID 45051392

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(2-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-methoxybenzamide?
The IUPAC name of N-[2-[3-[(2-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-methoxybenzamide (CID 46069795) is N-[2-[3-[(2-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[3-[(2-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[3-[(2-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccccc1N1CCCN(Cc2ccccc2Cl)C1=O.
What is the InChIKey of N-[2-[3-[(2-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-methoxybenzamide?
The InChIKey is OFYYIMOHPICNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O3/c1-32-23-14-7-3-10-19(23)24(30)27-21-12-5-6-13-22(21)29-16-8-15-28(25(29)31)17-18-9-2-4-11-20(18)26/h2-7,9-14H,8,15-17H2,1H3,(H,27,30).
What are the key properties of N-[2-[3-[(2-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-methoxybenzamide?
N-[2-[3-[(2-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-methoxybenzamide has a molecular weight of 449.94 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(2-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-methoxybenzamide is sourced from PubChem (CID 46069795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).