1-(1-fluoronaphthalen-2-yl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine

C20H19FN2 — CID 68556384

IUPAC1-(1-fluoronaphthalen-2-yl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine
SMILESCN1CCN(c2ccc3ccccc3c2F)c2ccccc2C1
InChIInChI=1S/C20H19FN2/c1-22-12-13-23(18-9-5-3-7-16(18)14-22)19-11-10-15-6-2-4-8-17(15)20(19)21/h2-11H,12-14H2,1H3
InChIKeyHLHNCCNLTPSLOV-UHFFFAOYSA-N
MW306.38 g/mol
LogP4.56
Rot. Bonds1

About 1-(1-fluoronaphthalen-2-yl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine

1-(1-fluoronaphthalen-2-yl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine (PubChem CID 68556384) has the molecular formula C20H19FN2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 1-(1-fluoronaphthalen-2-yl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine.

Molecular Properties

Compound Name1-(1-fluoronaphthalen-2-yl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine
PubChem CID68556384
Molecular FormulaC20H19FN2
Molecular Weight306.38 g/mol
Exact Mass306.15
IUPAC Name1-(1-fluoronaphthalen-2-yl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine
SMILESCN1CCN(c2ccc3ccccc3c2F)c2ccccc2C1
InChIInChI=1S/C20H19FN2/c1-22-12-13-23(18-9-5-3-7-16(18)14-22)19-11-10-15-6-2-4-8-17(15)20(19)21/h2-11H,12-14H2,1H3
InChIKeyHLHNCCNLTPSLOV-UHFFFAOYSA-N
XLogP4.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoronaphthalen-2-yl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine?
The IUPAC name of 1-(1-fluoronaphthalen-2-yl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine (CID 68556384) is 1-(1-fluoronaphthalen-2-yl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine.
What is the SMILES notation for 1-(1-fluoronaphthalen-2-yl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine?
The canonical SMILES for 1-(1-fluoronaphthalen-2-yl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine is CN1CCN(c2ccc3ccccc3c2F)c2ccccc2C1.
What is the InChIKey of 1-(1-fluoronaphthalen-2-yl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine?
The InChIKey is HLHNCCNLTPSLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2/c1-22-12-13-23(18-9-5-3-7-16(18)14-22)19-11-10-15-6-2-4-8-17(15)20(19)21/h2-11H,12-14H2,1H3.
What are the key properties of 1-(1-fluoronaphthalen-2-yl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine?
1-(1-fluoronaphthalen-2-yl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine has a molecular weight of 306.38 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoronaphthalen-2-yl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine is sourced from PubChem (CID 68556384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).