2-ethyl-4-(2-fluorophenyl)-3-methyl-4,5-dihydro-1,3-benzodiazepine

C18H19FN2 — CID 12909714

IUPAC2-ethyl-4-(2-fluorophenyl)-3-methyl-4,5-dihydro-1,3-benzodiazepine
SMILESCCC1=Nc2ccccc2CC(c2ccccc2F)N1C
InChIInChI=1S/C18H19FN2/c1-3-18-20-16-11-7-4-8-13(16)12-17(21(18)2)14-9-5-6-10-15(14)19/h4-11,17H,3,12H2,1-2H3
InChIKeyDVJDKXVUVISNEH-UHFFFAOYSA-N
MW282.36 g/mol
LogP4.49
Rot. Bonds2

About 2-ethyl-4-(2-fluorophenyl)-3-methyl-4,5-dihydro-1,3-benzodiazepine

2-ethyl-4-(2-fluorophenyl)-3-methyl-4,5-dihydro-1,3-benzodiazepine (PubChem CID 12909714) has the molecular formula C18H19FN2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-ethyl-4-(2-fluorophenyl)-3-methyl-4,5-dihydro-1,3-benzodiazepine.

Molecular Properties

Compound Name2-ethyl-4-(2-fluorophenyl)-3-methyl-4,5-dihydro-1,3-benzodiazepine
PubChem CID12909714
Molecular FormulaC18H19FN2
Molecular Weight282.36 g/mol
Exact Mass282.15
IUPAC Name2-ethyl-4-(2-fluorophenyl)-3-methyl-4,5-dihydro-1,3-benzodiazepine
SMILESCCC1=Nc2ccccc2CC(c2ccccc2F)N1C
InChIInChI=1S/C18H19FN2/c1-3-18-20-16-11-7-4-8-13(16)12-17(21(18)2)14-9-5-6-10-15(14)19/h4-11,17H,3,12H2,1-2H3
InChIKeyDVJDKXVUVISNEH-UHFFFAOYSA-N
XLogP4.49
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-fluorophenyl)-3-methyl-4,5-dihydro-1,3-benzodiazepine?
The IUPAC name of 2-ethyl-4-(2-fluorophenyl)-3-methyl-4,5-dihydro-1,3-benzodiazepine (CID 12909714) is 2-ethyl-4-(2-fluorophenyl)-3-methyl-4,5-dihydro-1,3-benzodiazepine.
What is the SMILES notation for 2-ethyl-4-(2-fluorophenyl)-3-methyl-4,5-dihydro-1,3-benzodiazepine?
The canonical SMILES for 2-ethyl-4-(2-fluorophenyl)-3-methyl-4,5-dihydro-1,3-benzodiazepine is CCC1=Nc2ccccc2CC(c2ccccc2F)N1C.
What is the InChIKey of 2-ethyl-4-(2-fluorophenyl)-3-methyl-4,5-dihydro-1,3-benzodiazepine?
The InChIKey is DVJDKXVUVISNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2/c1-3-18-20-16-11-7-4-8-13(16)12-17(21(18)2)14-9-5-6-10-15(14)19/h4-11,17H,3,12H2,1-2H3.
What are the key properties of 2-ethyl-4-(2-fluorophenyl)-3-methyl-4,5-dihydro-1,3-benzodiazepine?
2-ethyl-4-(2-fluorophenyl)-3-methyl-4,5-dihydro-1,3-benzodiazepine has a molecular weight of 282.36 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-fluorophenyl)-3-methyl-4,5-dihydro-1,3-benzodiazepine is sourced from PubChem (CID 12909714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).