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

C16H14ClFN2 — CID 13014172

IUPAC7-chloro-5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepine
SMILESCN1CCN=C(c2ccccc2F)c2cc(Cl)ccc21
InChIInChI=1S/C16H14ClFN2/c1-20-9-8-19-16(12-4-2-3-5-14(12)18)13-10-11(17)6-7-15(13)20/h2-7,10H,8-9H2,1H3
InChIKeyZCSGBNGNBBATID-UHFFFAOYSA-N
MW288.75 g/mol
LogP3.77
Rot. Bonds1

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

7-chloro-5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepine (PubChem CID 13014172) has the molecular formula C16H14ClFN2 and a molecular weight of 288.75 g/mol. Its IUPAC name is 7-chloro-5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepine.

Molecular Properties

Compound Name7-chloro-5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepine
PubChem CID13014172
Molecular FormulaC16H14ClFN2
Molecular Weight288.75 g/mol
Exact Mass288.08
IUPAC Name7-chloro-5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepine
SMILESCN1CCN=C(c2ccccc2F)c2cc(Cl)ccc21
InChIInChI=1S/C16H14ClFN2/c1-20-9-8-19-16(12-4-2-3-5-14(12)18)13-10-11(17)6-7-15(13)20/h2-7,10H,8-9H2,1H3
InChIKeyZCSGBNGNBBATID-UHFFFAOYSA-N
XLogP3.77
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.75
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Diazepam
CID 3016
Flurazepam
CID 3393
Ro 5-4864
CID 1688
Desalkylflurazepam
CID 4540
Prazepam
CID 4890
Quazepam
CID 4999
Halazepam
CID 31640
Pinazepam
CID 40391
Medazepam
CID 4041
Fludiazepam
CID 3369
Flurazepam Hydrochloride
CID 14434
Tetrazepam
CID 25215

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepine?
The IUPAC name of 7-chloro-5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepine (CID 13014172) is 7-chloro-5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepine.
What is the SMILES notation for 7-chloro-5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepine?
The canonical SMILES for 7-chloro-5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepine is CN1CCN=C(c2ccccc2F)c2cc(Cl)ccc21.
What is the InChIKey of 7-chloro-5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepine?
The InChIKey is ZCSGBNGNBBATID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2/c1-20-9-8-19-16(12-4-2-3-5-14(12)18)13-10-11(17)6-7-15(13)20/h2-7,10H,8-9H2,1H3.
What are the key properties of 7-chloro-5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepine?
7-chloro-5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepine has a molecular weight of 288.75 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepine is sourced from PubChem (CID 13014172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).