7-bromo-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-amine

C15H11BrFN3 — CID 22153716

IUPAC7-bromo-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-amine
SMILESNC1=Nc2ccc(Br)cc2C(c2ccccc2F)=NC1
InChIInChI=1S/C15H11BrFN3/c16-9-5-6-13-11(7-9)15(19-8-14(18)20-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H2,18,20)
InChIKeyHDCADMWKSATBNE-UHFFFAOYSA-N
MW332.18 g/mol
LogP3.43
Rot. Bonds1

About 7-bromo-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-amine

7-bromo-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-amine (PubChem CID 22153716) has the molecular formula C15H11BrFN3 and a molecular weight of 332.18 g/mol. Its IUPAC name is 7-bromo-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-amine.

Molecular Properties

Compound Name7-bromo-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-amine
PubChem CID22153716
Molecular FormulaC15H11BrFN3
Molecular Weight332.18 g/mol
Exact Mass331.01
IUPAC Name7-bromo-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-amine
SMILESNC1=Nc2ccc(Br)cc2C(c2ccccc2F)=NC1
InChIInChI=1S/C15H11BrFN3/c16-9-5-6-13-11(7-9)15(19-8-14(18)20-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H2,18,20)
InChIKeyHDCADMWKSATBNE-UHFFFAOYSA-N
XLogP3.43
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.18
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-amine?
The IUPAC name of 7-bromo-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-amine (CID 22153716) is 7-bromo-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-amine.
What is the SMILES notation for 7-bromo-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-amine?
The canonical SMILES for 7-bromo-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-amine is NC1=Nc2ccc(Br)cc2C(c2ccccc2F)=NC1.
What is the InChIKey of 7-bromo-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-amine?
The InChIKey is HDCADMWKSATBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN3/c16-9-5-6-13-11(7-9)15(19-8-14(18)20-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H2,18,20).
What are the key properties of 7-bromo-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-amine?
7-bromo-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-amine has a molecular weight of 332.18 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-amine is sourced from PubChem (CID 22153716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).