5-(2-bromophenyl)-7-chloro-1-methyl-2,3-dihydro-1,4-benzodiazepine

C16H14BrClN2 — CID 19760186

IUPAC5-(2-bromophenyl)-7-chloro-1-methyl-2,3-dihydro-1,4-benzodiazepine
SMILESCN1CCN=C(c2ccccc2Br)c2cc(Cl)ccc21
InChIInChI=1S/C16H14BrClN2/c1-20-9-8-19-16(12-4-2-3-5-14(12)17)13-10-11(18)6-7-15(13)20/h2-7,10H,8-9H2,1H3
InChIKeyKUUNJSZCHBZEEP-UHFFFAOYSA-N
MW349.66 g/mol
LogP4.39
Rot. Bonds1

About 5-(2-bromophenyl)-7-chloro-1-methyl-2,3-dihydro-1,4-benzodiazepine

5-(2-bromophenyl)-7-chloro-1-methyl-2,3-dihydro-1,4-benzodiazepine (PubChem CID 19760186) has the molecular formula C16H14BrClN2 and a molecular weight of 349.66 g/mol. Its IUPAC name is 5-(2-bromophenyl)-7-chloro-1-methyl-2,3-dihydro-1,4-benzodiazepine.

Molecular Properties

Compound Name5-(2-bromophenyl)-7-chloro-1-methyl-2,3-dihydro-1,4-benzodiazepine
PubChem CID19760186
Molecular FormulaC16H14BrClN2
Molecular Weight349.66 g/mol
Exact Mass348.00
IUPAC Name5-(2-bromophenyl)-7-chloro-1-methyl-2,3-dihydro-1,4-benzodiazepine
SMILESCN1CCN=C(c2ccccc2Br)c2cc(Cl)ccc21
InChIInChI=1S/C16H14BrClN2/c1-20-9-8-19-16(12-4-2-3-5-14(12)17)13-10-11(18)6-7-15(13)20/h2-7,10H,8-9H2,1H3
InChIKeyKUUNJSZCHBZEEP-UHFFFAOYSA-N
XLogP4.39
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.66
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-7-chloro-1-methyl-2,3-dihydro-1,4-benzodiazepine?
The IUPAC name of 5-(2-bromophenyl)-7-chloro-1-methyl-2,3-dihydro-1,4-benzodiazepine (CID 19760186) is 5-(2-bromophenyl)-7-chloro-1-methyl-2,3-dihydro-1,4-benzodiazepine.
What is the SMILES notation for 5-(2-bromophenyl)-7-chloro-1-methyl-2,3-dihydro-1,4-benzodiazepine?
The canonical SMILES for 5-(2-bromophenyl)-7-chloro-1-methyl-2,3-dihydro-1,4-benzodiazepine is CN1CCN=C(c2ccccc2Br)c2cc(Cl)ccc21.
What is the InChIKey of 5-(2-bromophenyl)-7-chloro-1-methyl-2,3-dihydro-1,4-benzodiazepine?
The InChIKey is KUUNJSZCHBZEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2/c1-20-9-8-19-16(12-4-2-3-5-14(12)17)13-10-11(18)6-7-15(13)20/h2-7,10H,8-9H2,1H3.
What are the key properties of 5-(2-bromophenyl)-7-chloro-1-methyl-2,3-dihydro-1,4-benzodiazepine?
5-(2-bromophenyl)-7-chloro-1-methyl-2,3-dihydro-1,4-benzodiazepine has a molecular weight of 349.66 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-7-chloro-1-methyl-2,3-dihydro-1,4-benzodiazepine is sourced from PubChem (CID 19760186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).