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

C16H15BrFN3 — CID 70085417

IUPAC7-bromo-5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-3-amine
SMILESCN1CC(N)N=C(c2ccccc2F)c2cc(Br)ccc21
InChIInChI=1S/C16H15BrFN3/c1-21-9-15(19)20-16(11-4-2-3-5-13(11)18)12-8-10(17)6-7-14(12)21/h2-8,15H,9,19H2,1H3
InChIKeyUQOVGWNYJIYUNN-UHFFFAOYSA-N
MW348.22 g/mol
LogP3.16
Rot. Bonds1

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

7-bromo-5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-3-amine (PubChem CID 70085417) has the molecular formula C16H15BrFN3 and a molecular weight of 348.22 g/mol. Its IUPAC name is 7-bromo-5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-3-amine.

Molecular Properties

Compound Name7-bromo-5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-3-amine
PubChem CID70085417
Molecular FormulaC16H15BrFN3
Molecular Weight348.22 g/mol
Exact Mass347.04
IUPAC Name7-bromo-5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-3-amine
SMILESCN1CC(N)N=C(c2ccccc2F)c2cc(Br)ccc21
InChIInChI=1S/C16H15BrFN3/c1-21-9-15(19)20-16(11-4-2-3-5-13(11)18)12-8-10(17)6-7-14(12)21/h2-8,15H,9,19H2,1H3
InChIKeyUQOVGWNYJIYUNN-UHFFFAOYSA-N
XLogP3.16
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 53.16
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)-1-methyl-2,3-dihydro-1,4-benzodiazepin-3-amine?
The IUPAC name of 7-bromo-5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-3-amine (CID 70085417) is 7-bromo-5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-3-amine.
What is the SMILES notation for 7-bromo-5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-3-amine?
The canonical SMILES for 7-bromo-5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-3-amine is CN1CC(N)N=C(c2ccccc2F)c2cc(Br)ccc21.
What is the InChIKey of 7-bromo-5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-3-amine?
The InChIKey is UQOVGWNYJIYUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN3/c1-21-9-15(19)20-16(11-4-2-3-5-13(11)18)12-8-10(17)6-7-14(12)21/h2-8,15H,9,19H2,1H3.
What are the key properties of 7-bromo-5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-3-amine?
7-bromo-5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-3-amine has a molecular weight of 348.22 g/mol, XLogP of 3.16, 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)-1-methyl-2,3-dihydro-1,4-benzodiazepin-3-amine is sourced from PubChem (CID 70085417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).