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

C15H12BrFN2O — CID 143164861

IUPAC7-bromo-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-ol
SMILESOC1CN=C(c2ccccc2F)c2cc(Br)ccc2N1
InChIInChI=1S/C15H12BrFN2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7,14,19-20H,8H2
InChIKeyRZVWXFIJQDZKLG-UHFFFAOYSA-N
MW335.18 g/mol
LogP3.17
Rot. Bonds1

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

7-bromo-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-ol (PubChem CID 143164861) has the molecular formula C15H12BrFN2O and a molecular weight of 335.18 g/mol. Its IUPAC name is 7-bromo-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-ol.

Molecular Properties

Compound Name7-bromo-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-ol
PubChem CID143164861
Molecular FormulaC15H12BrFN2O
Molecular Weight335.18 g/mol
Exact Mass334.01
IUPAC Name7-bromo-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-ol
SMILESOC1CN=C(c2ccccc2F)c2cc(Br)ccc2N1
InChIInChI=1S/C15H12BrFN2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7,14,19-20H,8H2
InChIKeyRZVWXFIJQDZKLG-UHFFFAOYSA-N
XLogP3.17
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.18
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-Bromo-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
CID 12947024
7-bromo-5-phenyl-1,2-dihydro-2H-1,4-benzodiazepin-2-one
CID 76167
7-Bromo-3-hydroxy-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
CID 627325
7-Bromo-5-(3-bromophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
CID 633837
7-bromo-5-(2-fluorophenyl)-3,3-dimethyl-1H-1,4-benzodiazepin-2-one
CID 171509448
7-Bromo-3-ethyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 171509461
7-Bromo-5-(4-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 2049491
(3R)-7-bromo-5-(2-fluorophenyl)-3-methyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 57938616
7-bromo-5-(2-fluorophenyl)-1,3-dihydro-3-hydroxy-2H-1,4-benzodiazepin-2-one
CID 13126012
KC 2846
CID 6441207
(3R)-7-bromo-3-ethyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 134831154
(3S)-7-bromo-3-ethyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 134831155

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-ol?
The IUPAC name of 7-bromo-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-ol (CID 143164861) is 7-bromo-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-ol.
What is the SMILES notation for 7-bromo-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-ol?
The canonical SMILES for 7-bromo-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-ol is OC1CN=C(c2ccccc2F)c2cc(Br)ccc2N1.
What is the InChIKey of 7-bromo-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-ol?
The InChIKey is RZVWXFIJQDZKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7,14,19-20H,8H2.
What are the key properties of 7-bromo-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-ol?
7-bromo-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-ol has a molecular weight of 335.18 g/mol, XLogP of 3.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-ol is sourced from PubChem (CID 143164861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).