1-(2-bromo-5-fluorophenyl)-3-cyclohexyl-1,4-diazepane

C17H24BrFN2 — CID 107640057

IUPAC1-(2-bromo-5-fluorophenyl)-3-cyclohexyl-1,4-diazepane
SMILESFc1ccc(Br)c(N2CCCNC(C3CCCCC3)C2)c1
InChIInChI=1S/C17H24BrFN2/c18-15-8-7-14(19)11-17(15)21-10-4-9-20-16(12-21)13-5-2-1-3-6-13/h7-8,11,13,16,20H,1-6,9-10,12H2
InChIKeyBRCIIMQCAFRLCV-UHFFFAOYSA-N
MW355.30 g/mol
LogP4.34
Rot. Bonds2

About 1-(2-bromo-5-fluorophenyl)-3-cyclohexyl-1,4-diazepane

1-(2-bromo-5-fluorophenyl)-3-cyclohexyl-1,4-diazepane (PubChem CID 107640057) has the molecular formula C17H24BrFN2 and a molecular weight of 355.30 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-3-cyclohexyl-1,4-diazepane.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-3-cyclohexyl-1,4-diazepane
PubChem CID107640057
Molecular FormulaC17H24BrFN2
Molecular Weight355.30 g/mol
Exact Mass354.11
IUPAC Name1-(2-bromo-5-fluorophenyl)-3-cyclohexyl-1,4-diazepane
SMILESFc1ccc(Br)c(N2CCCNC(C3CCCCC3)C2)c1
InChIInChI=1S/C17H24BrFN2/c18-15-8-7-14(19)11-17(15)21-10-4-9-20-16(12-21)13-5-2-1-3-6-13/h7-8,11,13,16,20H,1-6,9-10,12H2
InChIKeyBRCIIMQCAFRLCV-UHFFFAOYSA-N
XLogP4.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromo-5-fluorophenyl)-3-cyclohexyl-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

3-cyclohexyl-1-(2,5-dibromophenyl)-1,4-diazepane
CID 64943616
1-(3-bromo-4-fluorophenyl)-3-cyclohexyl-1,4-diazepane
CID 104781748
1-(2-bromo-5-fluorophenyl)-3-tert-butyl-1,4-diazepane
CID 107640121
1-(4-chloro-2-fluorophenyl)-3-cyclohexyl-1,4-diazepane
CID 64943824
1-(2-bromophenyl)-3-cyclohexylpiperazine
CID 64926277
3-cyclopropyl-1-(4-fluorophenyl)-1,4-diazepane
CID 64945264
1-(2-bromo-5-fluorophenyl)-3-(2-methylpropyl)-1,4-diazepane
CID 107640081
1-(2-bromo-5-fluorophenyl)azepane
CID 84713262
1-(5-bromo-4-fluoro-2-methylphenyl)-3-cyclopropyl-1,4-diazepane
CID 107594258
1-(2-bromo-4,6-difluorophenyl)-3-cyclopropyl-1,4-diazepane
CID 64945171
(3R)-1-(2-bromo-5-fluorophenyl)piperidin-3-ol
CID 170753354
3-cyclopropyl-1-(2-fluorophenyl)-1,4-diazepane
CID 64943298

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-cyclohexyl-1,4-diazepane?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-cyclohexyl-1,4-diazepane (CID 107640057) is 1-(2-bromo-5-fluorophenyl)-3-cyclohexyl-1,4-diazepane.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-3-cyclohexyl-1,4-diazepane?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-3-cyclohexyl-1,4-diazepane is Fc1ccc(Br)c(N2CCCNC(C3CCCCC3)C2)c1.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-3-cyclohexyl-1,4-diazepane?
The InChIKey is BRCIIMQCAFRLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrFN2/c18-15-8-7-14(19)11-17(15)21-10-4-9-20-16(12-21)13-5-2-1-3-6-13/h7-8,11,13,16,20H,1-6,9-10,12H2.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-3-cyclohexyl-1,4-diazepane?
1-(2-bromo-5-fluorophenyl)-3-cyclohexyl-1,4-diazepane has a molecular weight of 355.30 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-3-cyclohexyl-1,4-diazepane is sourced from PubChem (CID 107640057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).