(7S)-7-(4-fluorophenyl)-1-phenyl-1,4-diazepane

C17H19FN2 — CID 124565935

IUPAC(7S)-7-(4-fluorophenyl)-1-phenyl-1,4-diazepane
SMILESFc1ccc([C@@H]2CCNCCN2c2ccccc2)cc1
InChIInChI=1S/C17H19FN2/c18-15-8-6-14(7-9-15)17-10-11-19-12-13-20(17)16-4-2-1-3-5-16/h1-9,17,19H,10-13H2/t17-/m0/s1
InChIKeyCZSVGYQHNJWPRZ-KRWDZBQOSA-N
MW270.35 g/mol
LogP3.37
Rot. Bonds2

About (7S)-7-(4-fluorophenyl)-1-phenyl-1,4-diazepane

(7S)-7-(4-fluorophenyl)-1-phenyl-1,4-diazepane (PubChem CID 124565935) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is (7S)-7-(4-fluorophenyl)-1-phenyl-1,4-diazepane.

Molecular Properties

Compound Name(7S)-7-(4-fluorophenyl)-1-phenyl-1,4-diazepane
PubChem CID124565935
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name(7S)-7-(4-fluorophenyl)-1-phenyl-1,4-diazepane
SMILESFc1ccc([C@@H]2CCNCCN2c2ccccc2)cc1
InChIInChI=1S/C17H19FN2/c18-15-8-6-14(7-9-15)17-10-11-19-12-13-20(17)16-4-2-1-3-5-16/h1-9,17,19H,10-13H2/t17-/m0/s1
InChIKeyCZSVGYQHNJWPRZ-KRWDZBQOSA-N
XLogP3.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-(4-fluorophenyl)-1-phenyl-1,4-diazepane?
The IUPAC name of (7S)-7-(4-fluorophenyl)-1-phenyl-1,4-diazepane (CID 124565935) is (7S)-7-(4-fluorophenyl)-1-phenyl-1,4-diazepane.
What is the SMILES notation for (7S)-7-(4-fluorophenyl)-1-phenyl-1,4-diazepane?
The canonical SMILES for (7S)-7-(4-fluorophenyl)-1-phenyl-1,4-diazepane is Fc1ccc([C@@H]2CCNCCN2c2ccccc2)cc1.
What is the InChIKey of (7S)-7-(4-fluorophenyl)-1-phenyl-1,4-diazepane?
The InChIKey is CZSVGYQHNJWPRZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19FN2/c18-15-8-6-14(7-9-15)17-10-11-19-12-13-20(17)16-4-2-1-3-5-16/h1-9,17,19H,10-13H2/t17-/m0/s1.
What are the key properties of (7S)-7-(4-fluorophenyl)-1-phenyl-1,4-diazepane?
(7S)-7-(4-fluorophenyl)-1-phenyl-1,4-diazepane has a molecular weight of 270.35 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(4-fluorophenyl)-1-phenyl-1,4-diazepane is sourced from PubChem (CID 124565935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).