7-bromo-5-(2-fluorophenyl)-2-(methoxymethyl)-1-methyl-2,3-dihydro-1,4-benzodiazepine

C18H18BrFN2O — CID 13485672

IUPAC7-bromo-5-(2-fluorophenyl)-2-(methoxymethyl)-1-methyl-2,3-dihydro-1,4-benzodiazepine
SMILESCOCC1CN=C(c2ccccc2F)c2cc(Br)ccc2N1C
InChIInChI=1S/C18H18BrFN2O/c1-22-13(11-23-2)10-21-18(14-5-3-4-6-16(14)20)15-9-12(19)7-8-17(15)22/h3-9,13H,10-11H2,1-2H3
InChIKeyHVHKATUBYADFSE-UHFFFAOYSA-N
MW377.26 g/mol
LogP3.89
Rot. Bonds3

About 7-bromo-5-(2-fluorophenyl)-2-(methoxymethyl)-1-methyl-2,3-dihydro-1,4-benzodiazepine

7-bromo-5-(2-fluorophenyl)-2-(methoxymethyl)-1-methyl-2,3-dihydro-1,4-benzodiazepine (PubChem CID 13485672) has the molecular formula C18H18BrFN2O and a molecular weight of 377.26 g/mol. Its IUPAC name is 7-bromo-5-(2-fluorophenyl)-2-(methoxymethyl)-1-methyl-2,3-dihydro-1,4-benzodiazepine.

Molecular Properties

Compound Name7-bromo-5-(2-fluorophenyl)-2-(methoxymethyl)-1-methyl-2,3-dihydro-1,4-benzodiazepine
PubChem CID13485672
Molecular FormulaC18H18BrFN2O
Molecular Weight377.26 g/mol
Exact Mass376.06
IUPAC Name7-bromo-5-(2-fluorophenyl)-2-(methoxymethyl)-1-methyl-2,3-dihydro-1,4-benzodiazepine
SMILESCOCC1CN=C(c2ccccc2F)c2cc(Br)ccc2N1C
InChIInChI=1S/C18H18BrFN2O/c1-22-13(11-23-2)10-21-18(14-5-3-4-6-16(14)20)15-9-12(19)7-8-17(15)22/h3-9,13H,10-11H2,1-2H3
InChIKeyHVHKATUBYADFSE-UHFFFAOYSA-N
XLogP3.89
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.26
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 71272
CID 71272
CID 627432
CID 627432
CID 13450658
CID 13450658
CID 13450693
CID 13450693
CID 135177
CID 135177
CID 162950
CID 162950
CID 3058320
CID 3058320
CID 135809
CID 135809
CID 60210947
CID 60210947
CID 13485706
CID 13485706
CID 57938616
CID 57938616
CID 628885
CID 628885

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-(2-fluorophenyl)-2-(methoxymethyl)-1-methyl-2,3-dihydro-1,4-benzodiazepine?
The IUPAC name of 7-bromo-5-(2-fluorophenyl)-2-(methoxymethyl)-1-methyl-2,3-dihydro-1,4-benzodiazepine (CID 13485672) is 7-bromo-5-(2-fluorophenyl)-2-(methoxymethyl)-1-methyl-2,3-dihydro-1,4-benzodiazepine.
What is the SMILES notation for 7-bromo-5-(2-fluorophenyl)-2-(methoxymethyl)-1-methyl-2,3-dihydro-1,4-benzodiazepine?
The canonical SMILES for 7-bromo-5-(2-fluorophenyl)-2-(methoxymethyl)-1-methyl-2,3-dihydro-1,4-benzodiazepine is COCC1CN=C(c2ccccc2F)c2cc(Br)ccc2N1C.
What is the InChIKey of 7-bromo-5-(2-fluorophenyl)-2-(methoxymethyl)-1-methyl-2,3-dihydro-1,4-benzodiazepine?
The InChIKey is HVHKATUBYADFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN2O/c1-22-13(11-23-2)10-21-18(14-5-3-4-6-16(14)20)15-9-12(19)7-8-17(15)22/h3-9,13H,10-11H2,1-2H3.
What are the key properties of 7-bromo-5-(2-fluorophenyl)-2-(methoxymethyl)-1-methyl-2,3-dihydro-1,4-benzodiazepine?
7-bromo-5-(2-fluorophenyl)-2-(methoxymethyl)-1-methyl-2,3-dihydro-1,4-benzodiazepine has a molecular weight of 377.26 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-(2-fluorophenyl)-2-(methoxymethyl)-1-methyl-2,3-dihydro-1,4-benzodiazepine is sourced from PubChem (CID 13485672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).