2-(2-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl]-1,3-diazinane

C25H25ClF2N2 — CID 20857107

IUPAC2-(2-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl]-1,3-diazinane
SMILESCc1cccc(CN2CCCN(Cc3ccc(F)cc3)C2c2ccc(F)cc2Cl)c1
InChIInChI=1S/C25H25ClF2N2/c1-18-4-2-5-20(14-18)17-30-13-3-12-29(16-19-6-8-21(27)9-7-19)25(30)23-11-10-22(28)15-24(23)26/h2,4-11,14-15,25H,3,12-13,16-17H2,1H3
InChIKeyVZBZBBBEIOIRPQ-UHFFFAOYSA-N
MW426.94 g/mol
LogP6.33
Rot. Bonds5

About 2-(2-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl]-1,3-diazinane

2-(2-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl]-1,3-diazinane (PubChem CID 20857107) has the molecular formula C25H25ClF2N2 and a molecular weight of 426.94 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl]-1,3-diazinane.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl]-1,3-diazinane
PubChem CID20857107
Molecular FormulaC25H25ClF2N2
Molecular Weight426.94 g/mol
Exact Mass426.17
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl]-1,3-diazinane
SMILESCc1cccc(CN2CCCN(Cc3ccc(F)cc3)C2c2ccc(F)cc2Cl)c1
InChIInChI=1S/C25H25ClF2N2/c1-18-4-2-5-20(14-18)17-30-13-3-12-29(16-19-6-8-21(27)9-7-19)25(30)23-11-10-22(28)15-24(23)26/h2,4-11,14-15,25H,3,12-13,16-17H2,1H3
InChIKeyVZBZBBBEIOIRPQ-UHFFFAOYSA-N
XLogP6.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.94
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl]-1,3-diazinane 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

1,1'-(o-Chlorobenzylidene)dipiperidine
CID 99263
1-[(2-Chlorophenyl)methyl]-3-[(2-fluorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]hexahydropyrimidine
CID 76320776
1,3-Dibenzyl-2-[3-(trifluoromethyl)phenyl]hexahydropyrimidine
CID 76327987
2-(2-Fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-[(4-methylphenyl)methyl]-1,3-diazinane
CID 3647478
1-[(2-Chloro-4-fluorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine
CID 134137585
1-[(2-Chloro-6-fluorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine
CID 134149071
1-[(2-Chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine
CID 876730
1,3-Bis[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazolidine
CID 3451086
1,3-Bis(4-chlorobenzyl)-2-hexylhexahydropyrimidine
CID 250879
1-Benzyl-4-(2-chloro-6-fluorobenzyl)piperazine
CID 756921
1-(2-Chloro-6-fluorobenzyl)-4-(3-phenyl-2-propen-1-yl)piperazine
CID 783743
1,4-Bis[(2-chloro-6-fluorophenyl)methyl]piperazine
CID 2804276

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl]-1,3-diazinane?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl]-1,3-diazinane (CID 20857107) is 2-(2-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl]-1,3-diazinane.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl]-1,3-diazinane?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl]-1,3-diazinane is Cc1cccc(CN2CCCN(Cc3ccc(F)cc3)C2c2ccc(F)cc2Cl)c1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl]-1,3-diazinane?
The InChIKey is VZBZBBBEIOIRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClF2N2/c1-18-4-2-5-20(14-18)17-30-13-3-12-29(16-19-6-8-21(27)9-7-19)25(30)23-11-10-22(28)15-24(23)26/h2,4-11,14-15,25H,3,12-13,16-17H2,1H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl]-1,3-diazinane?
2-(2-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl]-1,3-diazinane has a molecular weight of 426.94 g/mol, XLogP of 6.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl]-1,3-diazinane is sourced from PubChem (CID 20857107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).