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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Related Compounds

N-(4-Bromo-phenyl)-benzamidine
CID 2838838
(2-Amino-5-bromophenyl)(phenyl)methanone hydrazone
CID 5378323
2-Amino-5-bromobenzophenone hydrazone
CID 625740
2-amino-5-phenyl-3H-1,4-benzodiazepine
CID 12569587
7-Bromo-2-tert-butyl-4-phenyl-5-propan-2-ylidene-1,3-benzodiazepine
CID 155775490
1,3-dihydro-5-(2-fluorophenyl)-7-bromo-2H-1,4-benzodiazepine-2-thione
CID 12947026
2-{[2-Amino-5-bromo-alpha-(2-fluorophenyl)benzylidene]amino}ethanol
CID 13341587
2-amino-7-fluoro-5-(o-fluorophenyl)-3H-1,4-benzodiazepine
CID 15079732
(2-Amino-5-fluorophenyl)(2-bromophenyl)methanimine
CID 19022669
[6-bromo-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]hydrazine
CID 20313584
2-amino-7-iodo-5-(2-fluorophenyl)-3H-1,4-benzodiazepine
CID 21265962
7-fluoro-5-phenyl-3H-1,4-benzodiazepin-2-amine
CID 22153689

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).