1-(2-bromo-4-chlorophenyl)-1,4-diazepane

C11H14BrClN2 — CID 81272279

IUPAC1-(2-bromo-4-chlorophenyl)-1,4-diazepane
SMILESClc1ccc(N2CCCNCC2)c(Br)c1
InChIInChI=1S/C11H14BrClN2/c12-10-8-9(13)2-3-11(10)15-6-1-4-14-5-7-15/h2-3,8,14H,1,4-7H2
InChIKeyLAXBUZHOQLDSKX-UHFFFAOYSA-N
MW289.60 g/mol
LogP2.90
Rot. Bonds1

About 1-(2-bromo-4-chlorophenyl)-1,4-diazepane

1-(2-bromo-4-chlorophenyl)-1,4-diazepane (PubChem CID 81272279) has the molecular formula C11H14BrClN2 and a molecular weight of 289.60 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-1,4-diazepane.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-1,4-diazepane
PubChem CID81272279
Molecular FormulaC11H14BrClN2
Molecular Weight289.60 g/mol
Exact Mass288.00
IUPAC Name1-(2-bromo-4-chlorophenyl)-1,4-diazepane
SMILESClc1ccc(N2CCCNCC2)c(Br)c1
InChIInChI=1S/C11H14BrClN2/c12-10-8-9(13)2-3-11(10)15-6-1-4-14-5-7-15/h2-3,8,14H,1,4-7H2
InChIKeyLAXBUZHOQLDSKX-UHFFFAOYSA-N
XLogP2.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.60
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Bromo-4-chloro-N-methylaniline--hydrogen chloride (1/1)
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2-bromo-4-chloro-N-methylaniline
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1-(4-Chloro-2-fluorophenyl)-1,4-diazepane
CID 64943823
(Z)-1-N-(2-bromo-4-chlorophenyl)-3,3,3-trifluoroprop-1-ene-1,2-diamine
CID 129101415
2-bromo-4-chloro-N-ethenyl-6-fluoroaniline
CID 174699371
1-(4-Chloro-3-fluorophenyl)-1,4-diazepane
CID 64942445
1-(2-Bromo-4-fluorophenyl)-1,4-diazepane
CID 64943783
2-bromo-4-chloro-N-(3,3,3-trifluoropropyl)aniline
CID 80979318
N-(2-bromo-4-chlorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 81263569
2-bromo-4-chloro-N-(2-fluoroethyl)aniline
CID 81270421
2-bromo-4-chloro-N-(2,2-difluoroethyl)aniline
CID 81270590
2-bromo-4-chloro-N-(3-fluoropropyl)aniline
CID 81270701

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-1,4-diazepane?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-1,4-diazepane (CID 81272279) is 1-(2-bromo-4-chlorophenyl)-1,4-diazepane.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-1,4-diazepane?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-1,4-diazepane is Clc1ccc(N2CCCNCC2)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-1,4-diazepane?
The InChIKey is LAXBUZHOQLDSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2/c12-10-8-9(13)2-3-11(10)15-6-1-4-14-5-7-15/h2-3,8,14H,1,4-7H2.
What are the key properties of 1-(2-bromo-4-chlorophenyl)-1,4-diazepane?
1-(2-bromo-4-chlorophenyl)-1,4-diazepane has a molecular weight of 289.60 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chlorophenyl)-1,4-diazepane is sourced from PubChem (CID 81272279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).