N-[5-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-2-chlorophenyl]-4-methoxybenzamide

C25H24ClN3O3 — CID 42869693

IUPACN-[5-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-2-chlorophenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(N3CCCN(Cc4ccccc4)C3=O)ccc2Cl)cc1
InChIInChI=1S/C25H24ClN3O3/c1-32-21-11-8-19(9-12-21)24(30)27-23-16-20(10-13-22(23)26)29-15-5-14-28(25(29)31)17-18-6-3-2-4-7-18/h2-4,6-13,16H,5,14-15,17H2,1H3,(H,27,30)
InChIKeyRRVUMTYZZIZRLL-UHFFFAOYSA-N
MW449.94 g/mol
LogP5.43
Rot. Bonds6

About N-[5-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-2-chlorophenyl]-4-methoxybenzamide

N-[5-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-2-chlorophenyl]-4-methoxybenzamide (PubChem CID 42869693) has the molecular formula C25H24ClN3O3 and a molecular weight of 449.94 g/mol. Its IUPAC name is N-[5-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-2-chlorophenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[5-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-2-chlorophenyl]-4-methoxybenzamide
PubChem CID42869693
Molecular FormulaC25H24ClN3O3
Molecular Weight449.94 g/mol
Exact Mass449.15
IUPAC NameN-[5-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-2-chlorophenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(N3CCCN(Cc4ccccc4)C3=O)ccc2Cl)cc1
InChIInChI=1S/C25H24ClN3O3/c1-32-21-11-8-19(9-12-21)24(30)27-23-16-20(10-13-22(23)26)29-15-5-14-28(25(29)31)17-18-6-3-2-4-7-18/h2-4,6-13,16H,5,14-15,17H2,1H3,(H,27,30)
InChIKeyRRVUMTYZZIZRLL-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-[5-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-2-chlorophenyl]-4-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-[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
4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-phenylbenzamide
CID 50754409
N-[4-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-methoxybenzamide
CID 46040810
4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(2-ethoxyphenyl)benzamide
CID 50754372
4-methoxy-N-[5-methyl-2-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide
CID 46070214
N-[3-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-phenylacetamide
CID 46070051
N-(2-chloro-5-pyrrolidin-1-ylphenyl)-4-methoxybenzamide
CID 110361913
N-[2-[3-[(3,4-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-methoxybenzamide
CID 46069806
methyl 2-[[3-(3-benzyl-2-oxo-1,3-diazinan-1-yl)benzoyl]amino]benzoate
CID 50814326
N-(3-methoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide
CID 50813999
4-[3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 50813814

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-2-chlorophenyl]-4-methoxybenzamide?
The IUPAC name of N-[5-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-2-chlorophenyl]-4-methoxybenzamide (CID 42869693) is N-[5-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-2-chlorophenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[5-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-2-chlorophenyl]-4-methoxybenzamide?
The canonical SMILES for N-[5-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-2-chlorophenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(N3CCCN(Cc4ccccc4)C3=O)ccc2Cl)cc1.
What is the InChIKey of N-[5-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-2-chlorophenyl]-4-methoxybenzamide?
The InChIKey is RRVUMTYZZIZRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O3/c1-32-21-11-8-19(9-12-21)24(30)27-23-16-20(10-13-22(23)26)29-15-5-14-28(25(29)31)17-18-6-3-2-4-7-18/h2-4,6-13,16H,5,14-15,17H2,1H3,(H,27,30).
What are the key properties of N-[5-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-2-chlorophenyl]-4-methoxybenzamide?
N-[5-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-2-chlorophenyl]-4-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-[5-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-2-chlorophenyl]-4-methoxybenzamide is sourced from PubChem (CID 42869693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).