5-(2-bromophenyl)-7-chloro-3H-1,4-benzodiazepin-2-amine

C15H11BrClN3 — CID 15079733

IUPAC5-(2-bromophenyl)-7-chloro-3H-1,4-benzodiazepin-2-amine
SMILESNC1=Nc2ccc(Cl)cc2C(c2ccccc2Br)=NC1
InChIInChI=1S/C15H11BrClN3/c16-12-4-2-1-3-10(12)15-11-7-9(17)5-6-13(11)20-14(18)8-19-15/h1-7H,8H2,(H2,18,20)
InChIKeyKSOQBVNMWPRGCH-UHFFFAOYSA-N
MW348.63 g/mol
LogP3.94
Rot. Bonds1

About 5-(2-bromophenyl)-7-chloro-3H-1,4-benzodiazepin-2-amine

5-(2-bromophenyl)-7-chloro-3H-1,4-benzodiazepin-2-amine (PubChem CID 15079733) has the molecular formula C15H11BrClN3 and a molecular weight of 348.63 g/mol. Its IUPAC name is 5-(2-bromophenyl)-7-chloro-3H-1,4-benzodiazepin-2-amine.

Molecular Properties

Compound Name5-(2-bromophenyl)-7-chloro-3H-1,4-benzodiazepin-2-amine
PubChem CID15079733
Molecular FormulaC15H11BrClN3
Molecular Weight348.63 g/mol
Exact Mass346.98
IUPAC Name5-(2-bromophenyl)-7-chloro-3H-1,4-benzodiazepin-2-amine
SMILESNC1=Nc2ccc(Cl)cc2C(c2ccccc2Br)=NC1
InChIInChI=1S/C15H11BrClN3/c16-12-4-2-1-3-10(12)15-11-7-9(17)5-6-13(11)20-14(18)8-19-15/h1-7H,8H2,(H2,18,20)
InChIKeyKSOQBVNMWPRGCH-UHFFFAOYSA-N
XLogP3.94
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.63
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-7-chloro-3H-1,4-benzodiazepin-2-amine?
The IUPAC name of 5-(2-bromophenyl)-7-chloro-3H-1,4-benzodiazepin-2-amine (CID 15079733) is 5-(2-bromophenyl)-7-chloro-3H-1,4-benzodiazepin-2-amine.
What is the SMILES notation for 5-(2-bromophenyl)-7-chloro-3H-1,4-benzodiazepin-2-amine?
The canonical SMILES for 5-(2-bromophenyl)-7-chloro-3H-1,4-benzodiazepin-2-amine is NC1=Nc2ccc(Cl)cc2C(c2ccccc2Br)=NC1.
What is the InChIKey of 5-(2-bromophenyl)-7-chloro-3H-1,4-benzodiazepin-2-amine?
The InChIKey is KSOQBVNMWPRGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClN3/c16-12-4-2-1-3-10(12)15-11-7-9(17)5-6-13(11)20-14(18)8-19-15/h1-7H,8H2,(H2,18,20).
What are the key properties of 5-(2-bromophenyl)-7-chloro-3H-1,4-benzodiazepin-2-amine?
5-(2-bromophenyl)-7-chloro-3H-1,4-benzodiazepin-2-amine has a molecular weight of 348.63 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-7-chloro-3H-1,4-benzodiazepin-2-amine is sourced from PubChem (CID 15079733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).