5-[(2-chlorophenyl)methylidene]-1-(4-methylpentyl)-1,3-diazinane-2,4,6-trione

C17H19ClN2O3 — CID 754883

IUPAC5-[(2-chlorophenyl)methylidene]-1-(4-methylpentyl)-1,3-diazinane-2,4,6-trione
SMILESCC(C)CCCN1C(=O)NC(=O)C(=Cc2ccccc2Cl)C1=O
InChIInChI=1S/C17H19ClN2O3/c1-11(2)6-5-9-20-16(22)13(15(21)19-17(20)23)10-12-7-3-4-8-14(12)18/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H,19,21,23)
InChIKeyWCVQGGJLSNTVBJ-UHFFFAOYSA-N
MW334.80 g/mol
LogP3.24
Rot. Bonds5

About 5-[(2-chlorophenyl)methylidene]-1-(4-methylpentyl)-1,3-diazinane-2,4,6-trione

5-[(2-chlorophenyl)methylidene]-1-(4-methylpentyl)-1,3-diazinane-2,4,6-trione (PubChem CID 754883) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methylidene]-1-(4-methylpentyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methylidene]-1-(4-methylpentyl)-1,3-diazinane-2,4,6-trione
PubChem CID754883
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name5-[(2-chlorophenyl)methylidene]-1-(4-methylpentyl)-1,3-diazinane-2,4,6-trione
SMILESCC(C)CCCN1C(=O)NC(=O)C(=Cc2ccccc2Cl)C1=O
InChIInChI=1S/C17H19ClN2O3/c1-11(2)6-5-9-20-16(22)13(15(21)19-17(20)23)10-12-7-3-4-8-14(12)18/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H,19,21,23)
InChIKeyWCVQGGJLSNTVBJ-UHFFFAOYSA-N
XLogP3.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 5-[(2-chlorophenyl)methylidene]-1-(4-methylpentyl)-1,3-diazinane-2,4,6-trione 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

(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-(4-methylpentyl)-1,3-diazinane-2,4,6-trione
CID 5377599
1-(4-methylpentyl)-1,3-diazinane-2,4,5,6-tetrone
CID 66908146
(5E)-1-(4-chlorophenyl)-5-[(2-chlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 6148901
(5E)-5-[(2-chlorophenyl)methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
CID 7325586
5-[(1-ethylindol-3-yl)methylidene]-1-hexyl-1,3-diazinane-2,4,6-trione
CID 3831481
5-[[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]methylidene]-1-ethyl-1,3-diazinane-2,4,6-trione
CID 4258236
7-chloro-1-(4-methylpentyl)indole-2,3-dione
CID 83157456
1-butyl-5-[(4-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 153319176
(4Z)-4-[(2-chlorophenyl)methylidene]-2-(2-methylpropyl)-1H-imidazol-5-one
CID 136893880
(5E)-5-[[2-[(2S)-butan-2-yl]oxyphenyl]methylidene]-1-(2,3-dichlorophenyl)-1,3-diazinane-2,4,6-trione
CID 126095219
1-butyl-5-[(3,4-dihydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 6809515
(5Z)-1-methyl-5-(naphthalen-1-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 2248707

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methylidene]-1-(4-methylpentyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(2-chlorophenyl)methylidene]-1-(4-methylpentyl)-1,3-diazinane-2,4,6-trione (CID 754883) is 5-[(2-chlorophenyl)methylidene]-1-(4-methylpentyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(2-chlorophenyl)methylidene]-1-(4-methylpentyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(2-chlorophenyl)methylidene]-1-(4-methylpentyl)-1,3-diazinane-2,4,6-trione is CC(C)CCCN1C(=O)NC(=O)C(=Cc2ccccc2Cl)C1=O.
What is the InChIKey of 5-[(2-chlorophenyl)methylidene]-1-(4-methylpentyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is WCVQGGJLSNTVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-11(2)6-5-9-20-16(22)13(15(21)19-17(20)23)10-12-7-3-4-8-14(12)18/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H,19,21,23).
What are the key properties of 5-[(2-chlorophenyl)methylidene]-1-(4-methylpentyl)-1,3-diazinane-2,4,6-trione?
5-[(2-chlorophenyl)methylidene]-1-(4-methylpentyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 334.80 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methylidene]-1-(4-methylpentyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 754883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).