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

C24H23ClF2N2 — CID 20857128

IUPAC1-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinane
SMILESFc1ccc(CN2CCCN(Cc3cccc(Cl)c3)C2c2ccccc2F)cc1
InChIInChI=1S/C24H23ClF2N2/c25-20-6-3-5-19(15-20)17-29-14-4-13-28(16-18-9-11-21(26)12-10-18)24(29)22-7-1-2-8-23(22)27/h1-3,5-12,15,24H,4,13-14,16-17H2
InChIKeyXGNRRSQRYRQIAY-UHFFFAOYSA-N
MW412.91 g/mol
LogP6.02
Rot. Bonds5

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

1-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinane (PubChem CID 20857128) has the molecular formula C24H23ClF2N2 and a molecular weight of 412.91 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinane.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinane
PubChem CID20857128
Molecular FormulaC24H23ClF2N2
Molecular Weight412.91 g/mol
Exact Mass412.15
IUPAC Name1-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinane
SMILESFc1ccc(CN2CCCN(Cc3cccc(Cl)c3)C2c2ccccc2F)cc1
InChIInChI=1S/C24H23ClF2N2/c25-20-6-3-5-19(15-20)17-29-14-4-13-28(16-18-9-11-21(26)12-10-18)24(29)22-7-1-2-8-23(22)27/h1-3,5-12,15,24H,4,13-14,16-17H2
InChIKeyXGNRRSQRYRQIAY-UHFFFAOYSA-N
XLogP6.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.91
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzyl-4-(3-chlorobenzyl)piperazine
CID 765219
1-[[(3S,4S)-1-benzyl-4-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-4-phenyl-piperidine
CID 489829
1,3-Dibenzyl-2-(2-fluorophenyl)-1,3-diazinane
CID 2294660
2-(3-Chlorophenyl)-1,3-bis[(4-chlorophenyl)methyl]imidazolidine
CID 12062836
1-[(2-Chlorophenyl)methyl]-3-[(2-fluorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]hexahydropyrimidine
CID 76320776
N-[(3-chloro-4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine
CID 166631121
2-(2-Fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-[(4-methylphenyl)methyl]-1,3-diazinane
CID 3647478
1,3-Bis[(3-chlorophenyl)methyl]-2-phenylimidazolidine
CID 44456706
2-(3-Chlorophenyl)-1,3-bis[(4-methylphenyl)methyl]imidazolidine
CID 44456723
1-[(E)-2-(3-chlorophenyl)-1-phenyl-vinyl]-4-(4-phenylbutyl)piperazine
CID 46230581
1-[(3-Chlorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine
CID 134153224
1-[(2-Chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine
CID 876730

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinane?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinane (CID 20857128) is 1-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinane.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinane?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinane is Fc1ccc(CN2CCCN(Cc3cccc(Cl)c3)C2c2ccccc2F)cc1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinane?
The InChIKey is XGNRRSQRYRQIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClF2N2/c25-20-6-3-5-19(15-20)17-29-14-4-13-28(16-18-9-11-21(26)12-10-18)24(29)22-7-1-2-8-23(22)27/h1-3,5-12,15,24H,4,13-14,16-17H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinane?
1-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinane has a molecular weight of 412.91 g/mol, XLogP of 6.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinane is sourced from PubChem (CID 20857128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).