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

C20H24Cl2N2O2 — CID 3766292

IUPAC1-[(2,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane
SMILESCOc1cccc(C(c2ccc(Cl)cc2Cl)N2CCCNCC2)c1OC
InChIInChI=1S/C20H24Cl2N2O2/c1-25-18-6-3-5-16(20(18)26-2)19(24-11-4-9-23-10-12-24)15-8-7-14(21)13-17(15)22/h3,5-8,13,19,23H,4,9-12H2,1-2H3
InChIKeyGACCBNRNJVMJAF-UHFFFAOYSA-N
MW395.33 g/mol
LogP4.40
Rot. Bonds5

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

1-[(2,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane (PubChem CID 3766292) has the molecular formula C20H24Cl2N2O2 and a molecular weight of 395.33 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane
PubChem CID3766292
Molecular FormulaC20H24Cl2N2O2
Molecular Weight395.33 g/mol
Exact Mass394.12
IUPAC Name1-[(2,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane
SMILESCOc1cccc(C(c2ccc(Cl)cc2Cl)N2CCCNCC2)c1OC
InChIInChI=1S/C20H24Cl2N2O2/c1-25-18-6-3-5-16(20(18)26-2)19(24-11-4-9-23-10-12-24)15-8-7-14(21)13-17(15)22/h3,5-8,13,19,23H,4,9-12H2,1-2H3
InChIKeyGACCBNRNJVMJAF-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

Analyze 1-[(2,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane 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-[(2,3-dimethoxyphenyl)-(2,6-dimethoxyphenyl)methyl]-1,4-diazepane
CID 5159429
1-[(5-bromo-2-methoxyphenyl)-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane
CID 5158278
1-[(5-chloro-2-methoxyphenyl)-naphthalen-1-ylmethyl]-1,4-diazepane
CID 5134406
1-[(2,4-difluorophenyl)-(2,3-dimethoxyphenyl)methyl]piperazine
CID 3831284
1-[(3,4-dichlorophenyl)-(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepane
CID 3814985
1-[bis(2,4-dichlorophenyl)methyl]piperazine
CID 3373425
1-[(3-chlorophenyl)-(2,4-dichlorophenyl)methyl]-1,4-diazepane
CID 3791498
4-[1,4-diazepan-1-yl-(2,3-dimethoxyphenyl)methyl]quinoline
CID 3750378
1-[(5-chloro-2-methoxyphenyl)-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane
CID 3847028
1-[(2,4-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 4584564
1-[(4-bromo-2,5-dimethoxyphenyl)-(2,4-dichlorophenyl)methyl]piperazine
CID 4738646
1-[(2,3-dichlorophenyl)-(2,4-dichlorophenyl)methyl]piperazine
CID 3541146

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane?
The IUPAC name of 1-[(2,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane (CID 3766292) is 1-[(2,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane?
The canonical SMILES for 1-[(2,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane is COc1cccc(C(c2ccc(Cl)cc2Cl)N2CCCNCC2)c1OC.
What is the InChIKey of 1-[(2,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane?
The InChIKey is GACCBNRNJVMJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O2/c1-25-18-6-3-5-16(20(18)26-2)19(24-11-4-9-23-10-12-24)15-8-7-14(21)13-17(15)22/h3,5-8,13,19,23H,4,9-12H2,1-2H3.
What are the key properties of 1-[(2,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane?
1-[(2,4-dichlorophenyl)-(2,3-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-[(2,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane is sourced from PubChem (CID 3766292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).