7-bromo-6-chloro-5-(2,6-difluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine

C15H10BrClF2N2 — CID 172737199

IUPAC7-bromo-6-chloro-5-(2,6-difluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine
SMILESFc1cccc(F)c1C1=NCCNc2ccc(Br)c(Cl)c21
InChIInChI=1S/C15H10BrClF2N2/c16-8-4-5-11-13(14(8)17)15(21-7-6-20-11)12-9(18)2-1-3-10(12)19/h1-5,20H,6-7H2
InChIKeyIPHYIXXTODRJFX-UHFFFAOYSA-N
MW371.61 g/mol
LogP4.64
Rot. Bonds1

About 7-bromo-6-chloro-5-(2,6-difluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine

7-bromo-6-chloro-5-(2,6-difluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine (PubChem CID 172737199) has the molecular formula C15H10BrClF2N2 and a molecular weight of 371.61 g/mol. Its IUPAC name is 7-bromo-6-chloro-5-(2,6-difluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine.

Molecular Properties

Compound Name7-bromo-6-chloro-5-(2,6-difluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine
PubChem CID172737199
Molecular FormulaC15H10BrClF2N2
Molecular Weight371.61 g/mol
Exact Mass369.97
IUPAC Name7-bromo-6-chloro-5-(2,6-difluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine
SMILESFc1cccc(F)c1C1=NCCNc2ccc(Br)c(Cl)c21
InChIInChI=1S/C15H10BrClF2N2/c16-8-4-5-11-13(14(8)17)15(21-7-6-20-11)12-9(18)2-1-3-10(12)19/h1-5,20H,6-7H2
InChIKeyIPHYIXXTODRJFX-UHFFFAOYSA-N
XLogP4.64
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.61
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-chloro-5-(2,6-difluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine?
The IUPAC name of 7-bromo-6-chloro-5-(2,6-difluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine (CID 172737199) is 7-bromo-6-chloro-5-(2,6-difluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine.
What is the SMILES notation for 7-bromo-6-chloro-5-(2,6-difluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine?
The canonical SMILES for 7-bromo-6-chloro-5-(2,6-difluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine is Fc1cccc(F)c1C1=NCCNc2ccc(Br)c(Cl)c21.
What is the InChIKey of 7-bromo-6-chloro-5-(2,6-difluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine?
The InChIKey is IPHYIXXTODRJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClF2N2/c16-8-4-5-11-13(14(8)17)15(21-7-6-20-11)12-9(18)2-1-3-10(12)19/h1-5,20H,6-7H2.
What are the key properties of 7-bromo-6-chloro-5-(2,6-difluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine?
7-bromo-6-chloro-5-(2,6-difluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine has a molecular weight of 371.61 g/mol, XLogP of 4.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-chloro-5-(2,6-difluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine is sourced from PubChem (CID 172737199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).