1-(5-bromo-4-fluoro-2-methylphenyl)-3-cyclopropyl-1,4-diazepane

C15H20BrFN2 — CID 107594258

IUPAC1-(5-bromo-4-fluoro-2-methylphenyl)-3-cyclopropyl-1,4-diazepane
SMILESCc1cc(F)c(Br)cc1N1CCCNC(C2CC2)C1
InChIInChI=1S/C15H20BrFN2/c1-10-7-13(17)12(16)8-15(10)19-6-2-5-18-14(9-19)11-3-4-11/h7-8,11,14,18H,2-6,9H2,1H3
InChIKeyNFZDLSZFUBKLFY-UHFFFAOYSA-N
MW327.24 g/mol
LogP3.47
Rot. Bonds2

About 1-(5-bromo-4-fluoro-2-methylphenyl)-3-cyclopropyl-1,4-diazepane

1-(5-bromo-4-fluoro-2-methylphenyl)-3-cyclopropyl-1,4-diazepane (PubChem CID 107594258) has the molecular formula C15H20BrFN2 and a molecular weight of 327.24 g/mol. Its IUPAC name is 1-(5-bromo-4-fluoro-2-methylphenyl)-3-cyclopropyl-1,4-diazepane.

Molecular Properties

Compound Name1-(5-bromo-4-fluoro-2-methylphenyl)-3-cyclopropyl-1,4-diazepane
PubChem CID107594258
Molecular FormulaC15H20BrFN2
Molecular Weight327.24 g/mol
Exact Mass326.08
IUPAC Name1-(5-bromo-4-fluoro-2-methylphenyl)-3-cyclopropyl-1,4-diazepane
SMILESCc1cc(F)c(Br)cc1N1CCCNC(C2CC2)C1
InChIInChI=1S/C15H20BrFN2/c1-10-7-13(17)12(16)8-15(10)19-6-2-5-18-14(9-19)11-3-4-11/h7-8,11,14,18H,2-6,9H2,1H3
InChIKeyNFZDLSZFUBKLFY-UHFFFAOYSA-N
XLogP3.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.24
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4,6-difluorophenyl)-3-cyclopropyl-1,4-diazepane
CID 64945171
3-cyclopropyl-1-(2-fluorophenyl)-1,4-diazepane
CID 64943298
1-(2-bromo-5-fluorophenyl)-3-cyclohexyl-1,4-diazepane
CID 107640057
1-(3-bromo-4-fluorophenyl)-3-cyclohexyl-1,4-diazepane
CID 104781748
3-cyclopropyl-1-(2-methylsulfanylphenyl)-1,4-diazepane
CID 107646320
1-(3-bromo-5-methylphenyl)-3-cyclopropyl-1,4-diazepane
CID 107580032
3-cyclohexyl-1-(2,5-dibromophenyl)-1,4-diazepane
CID 64943616
1-(5-bromo-4-fluoro-2-methylphenyl)-3-methylpiperidin-4-amine
CID 107592784
10-(5-bromo-4-fluoro-2-methylphenyl)-6,10-diazaspiro[4.6]undecane
CID 107594271
1-(4-chloro-2-fluorophenyl)-3-cyclohexyl-1,4-diazepane
CID 64943824
1-(5-bromo-4-fluoro-2-methylphenyl)-N-propylpiperidin-3-amine
CID 107594230
3-cyclopropyl-1-(4-fluorophenyl)-1,4-diazepane
CID 64945264

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-fluoro-2-methylphenyl)-3-cyclopropyl-1,4-diazepane?
The IUPAC name of 1-(5-bromo-4-fluoro-2-methylphenyl)-3-cyclopropyl-1,4-diazepane (CID 107594258) is 1-(5-bromo-4-fluoro-2-methylphenyl)-3-cyclopropyl-1,4-diazepane.
What is the SMILES notation for 1-(5-bromo-4-fluoro-2-methylphenyl)-3-cyclopropyl-1,4-diazepane?
The canonical SMILES for 1-(5-bromo-4-fluoro-2-methylphenyl)-3-cyclopropyl-1,4-diazepane is Cc1cc(F)c(Br)cc1N1CCCNC(C2CC2)C1.
What is the InChIKey of 1-(5-bromo-4-fluoro-2-methylphenyl)-3-cyclopropyl-1,4-diazepane?
The InChIKey is NFZDLSZFUBKLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2/c1-10-7-13(17)12(16)8-15(10)19-6-2-5-18-14(9-19)11-3-4-11/h7-8,11,14,18H,2-6,9H2,1H3.
What are the key properties of 1-(5-bromo-4-fluoro-2-methylphenyl)-3-cyclopropyl-1,4-diazepane?
1-(5-bromo-4-fluoro-2-methylphenyl)-3-cyclopropyl-1,4-diazepane has a molecular weight of 327.24 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-fluoro-2-methylphenyl)-3-cyclopropyl-1,4-diazepane is sourced from PubChem (CID 107594258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).