1-[(3,4-dichlorophenyl)-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane

C20H24Cl2N2O2 — CID 3260597

IUPAC1-[(3,4-dichlorophenyl)-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane
SMILESCOc1ccc(OC)c(C(c2ccc(Cl)c(Cl)c2)N2CCCNCC2)c1
InChIInChI=1S/C20H24Cl2N2O2/c1-25-15-5-7-19(26-2)16(13-15)20(24-10-3-8-23-9-11-24)14-4-6-17(21)18(22)12-14/h4-7,12-13,20,23H,3,8-11H2,1-2H3
InChIKeyJMMOFHDFDAPECV-UHFFFAOYSA-N
MW395.33 g/mol
LogP4.40
Rot. Bonds5

About 1-[(3,4-dichlorophenyl)-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane

1-[(3,4-dichlorophenyl)-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane (PubChem CID 3260597) has the molecular formula C20H24Cl2N2O2 and a molecular weight of 395.33 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane
PubChem CID3260597
Molecular FormulaC20H24Cl2N2O2
Molecular Weight395.33 g/mol
Exact Mass394.12
IUPAC Name1-[(3,4-dichlorophenyl)-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane
SMILESCOc1ccc(OC)c(C(c2ccc(Cl)c(Cl)c2)N2CCCNCC2)c1
InChIInChI=1S/C20H24Cl2N2O2/c1-25-15-5-7-19(26-2)16(13-15)20(24-10-3-8-23-9-11-24)14-4-6-17(21)18(22)12-14/h4-7,12-13,20,23H,3,8-11H2,1-2H3
InChIKeyJMMOFHDFDAPECV-UHFFFAOYSA-N
XLogP4.40
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.33
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,4-dichlorophenyl)-(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane
CID 3504603
1-[(3,4-dichlorophenyl)-(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepane
CID 3814985
1-[(4-bromophenyl)-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane
CID 4264818
1-[(5-chloro-2-methoxyphenyl)-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane
CID 3847028
1-[(4-chlorophenyl)-(2,5-dimethoxyphenyl)methyl]piperazine
CID 3758150
1-[(2,5-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]piperazine
CID 5234749
1-[(2,5-dimethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 3778741
1-[(2,5-dimethoxyphenyl)-thiophen-2-ylmethyl]-1,4-diazepane
CID 3702871
1-[1-(2,5-dimethoxyphenyl)ethyl]-1,4-diazepane
CID 3724554
1-[(2,4-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methyl]-1,4-diazepane
CID 3832426
1-[[4-chloro-3-(trifluoromethyl)phenyl]-(2,4-dimethoxyphenyl)methyl]piperazine
CID 3508845
1-[(3,4-dichlorophenyl)-(2,5-dimethylphenyl)methyl]-1,4-diazepane
CID 3779720

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane?
The IUPAC name of 1-[(3,4-dichlorophenyl)-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane (CID 3260597) is 1-[(3,4-dichlorophenyl)-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane?
The canonical SMILES for 1-[(3,4-dichlorophenyl)-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane is COc1ccc(OC)c(C(c2ccc(Cl)c(Cl)c2)N2CCCNCC2)c1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane?
The InChIKey is JMMOFHDFDAPECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O2/c1-25-15-5-7-19(26-2)16(13-15)20(24-10-3-8-23-9-11-24)14-4-6-17(21)18(22)12-14/h4-7,12-13,20,23H,3,8-11H2,1-2H3.
What are the key properties of 1-[(3,4-dichlorophenyl)-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane?
1-[(3,4-dichlorophenyl)-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane has a molecular weight of 395.33 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane is sourced from PubChem (CID 3260597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).