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

C15H10ClFN2 — CID 14419889

IUPAC7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepine
SMILESFc1ccccc1C1=NCC=Nc2ccc(Cl)cc21
InChIInChI=1S/C15H10ClFN2/c16-10-5-6-14-12(9-10)15(19-8-7-18-14)11-3-1-2-4-13(11)17/h1-7,9H,8H2
InChIKeyXEHOWQNTQBXMHS-UHFFFAOYSA-N
MW272.71 g/mol
LogP4.03
Rot. Bonds1

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

7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepine (PubChem CID 14419889) has the molecular formula C15H10ClFN2 and a molecular weight of 272.71 g/mol. Its IUPAC name is 7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepine.

Molecular Properties

Compound Name7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepine
PubChem CID14419889
Molecular FormulaC15H10ClFN2
Molecular Weight272.71 g/mol
Exact Mass272.05
IUPAC Name7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepine
SMILESFc1ccccc1C1=NCC=Nc2ccc(Cl)cc21
InChIInChI=1S/C15H10ClFN2/c16-10-5-6-14-12(9-10)15(19-8-7-18-14)11-3-1-2-4-13(11)17/h1-7,9H,8H2
InChIKeyXEHOWQNTQBXMHS-UHFFFAOYSA-N
XLogP4.03
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepine?
The IUPAC name of 7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepine (CID 14419889) is 7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepine.
What is the SMILES notation for 7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepine?
The canonical SMILES for 7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepine is Fc1ccccc1C1=NCC=Nc2ccc(Cl)cc21.
What is the InChIKey of 7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepine?
The InChIKey is XEHOWQNTQBXMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2/c16-10-5-6-14-12(9-10)15(19-8-7-18-14)11-3-1-2-4-13(11)17/h1-7,9H,8H2.
What are the key properties of 7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepine?
7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepine has a molecular weight of 272.71 g/mol, XLogP of 4.03, 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)-3H-1,4-benzodiazepine is sourced from PubChem (CID 14419889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).