(2R)-2-(2-fluorophenyl)-1-phenyl-1,4-diazepane

C17H19FN2 — CID 124565927

IUPAC(2R)-2-(2-fluorophenyl)-1-phenyl-1,4-diazepane
SMILESFc1ccccc1[C@@H]1CNCCCN1c1ccccc1
InChIInChI=1S/C17H19FN2/c18-16-10-5-4-9-15(16)17-13-19-11-6-12-20(17)14-7-2-1-3-8-14/h1-5,7-10,17,19H,6,11-13H2/t17-/m0/s1
InChIKeyOAFARYKJZLPOEE-KRWDZBQOSA-N
MW270.35 g/mol
LogP3.37
Rot. Bonds2

About (2R)-2-(2-fluorophenyl)-1-phenyl-1,4-diazepane

(2R)-2-(2-fluorophenyl)-1-phenyl-1,4-diazepane (PubChem CID 124565927) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is (2R)-2-(2-fluorophenyl)-1-phenyl-1,4-diazepane.

Molecular Properties

Compound Name(2R)-2-(2-fluorophenyl)-1-phenyl-1,4-diazepane
PubChem CID124565927
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name(2R)-2-(2-fluorophenyl)-1-phenyl-1,4-diazepane
SMILESFc1ccccc1[C@@H]1CNCCCN1c1ccccc1
InChIInChI=1S/C17H19FN2/c18-16-10-5-4-9-15(16)17-13-19-11-6-12-20(17)14-7-2-1-3-8-14/h1-5,7-10,17,19H,6,11-13H2/t17-/m0/s1
InChIKeyOAFARYKJZLPOEE-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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Related Compounds

(2R)-2-(2-chlorophenyl)-1-phenyl-1,4-diazepane
CID 124565905
2-(2-methoxyphenyl)-1-phenyl-1,4-diazepane
CID 53237372
(7R)-7-(2-fluorophenyl)-1-phenyl-1,4-diazepane
CID 124565899
2-(2-fluorophenyl)-1-methyl-1,4-diazepane
CID 82395310
(2S)-2-(2-fluorophenyl)-1-methylpiperazine
CID 28804930
(2S)-2-methyl-1-phenyl-1,4-diazocane
CID 124706685
1-(4-chlorophenyl)-2-(2-methylphenyl)piperazine
CID 66735743
1-(4-chlorophenyl)-2-phenylpiperazine
CID 64939172
4-(1-phenylpiperazin-2-yl)benzonitrile
CID 54309593
1,2-diphenylpiperazine;propan-1-ol
CID 174486026
(7S)-7-(4-fluorophenyl)-1-phenyl-1,4-diazepane
CID 124565935
[(2R)-1-phenylpiperazin-2-yl]methanol
CID 139491913

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-fluorophenyl)-1-phenyl-1,4-diazepane?
The IUPAC name of (2R)-2-(2-fluorophenyl)-1-phenyl-1,4-diazepane (CID 124565927) is (2R)-2-(2-fluorophenyl)-1-phenyl-1,4-diazepane.
What is the SMILES notation for (2R)-2-(2-fluorophenyl)-1-phenyl-1,4-diazepane?
The canonical SMILES for (2R)-2-(2-fluorophenyl)-1-phenyl-1,4-diazepane is Fc1ccccc1[C@@H]1CNCCCN1c1ccccc1.
What is the InChIKey of (2R)-2-(2-fluorophenyl)-1-phenyl-1,4-diazepane?
The InChIKey is OAFARYKJZLPOEE-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19FN2/c18-16-10-5-4-9-15(16)17-13-19-11-6-12-20(17)14-7-2-1-3-8-14/h1-5,7-10,17,19H,6,11-13H2/t17-/m0/s1.
What are the key properties of (2R)-2-(2-fluorophenyl)-1-phenyl-1,4-diazepane?
(2R)-2-(2-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 (2R)-2-(2-fluorophenyl)-1-phenyl-1,4-diazepane is sourced from PubChem (CID 124565927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).