1-(3,5-difluorophenyl)-3-phenyl-1,4-diazepane

C17H18F2N2 — CID 64943123

IUPAC1-(3,5-difluorophenyl)-3-phenyl-1,4-diazepane
SMILESFc1cc(F)cc(N2CCCNC(c3ccccc3)C2)c1
InChIInChI=1S/C17H18F2N2/c18-14-9-15(19)11-16(10-14)21-8-4-7-20-17(12-21)13-5-2-1-3-6-13/h1-3,5-6,9-11,17,20H,4,7-8,12H2
InChIKeySQCJULPBKMYTAA-UHFFFAOYSA-N
MW288.34 g/mol
LogP3.51
Rot. Bonds2

About 1-(3,5-difluorophenyl)-3-phenyl-1,4-diazepane

1-(3,5-difluorophenyl)-3-phenyl-1,4-diazepane (PubChem CID 64943123) has the molecular formula C17H18F2N2 and a molecular weight of 288.34 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-phenyl-1,4-diazepane.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-phenyl-1,4-diazepane
PubChem CID64943123
Molecular FormulaC17H18F2N2
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name1-(3,5-difluorophenyl)-3-phenyl-1,4-diazepane
SMILESFc1cc(F)cc(N2CCCNC(c3ccccc3)C2)c1
InChIInChI=1S/C17H18F2N2/c18-14-9-15(19)11-16(10-14)21-8-4-7-20-17(12-21)13-5-2-1-3-6-13/h1-3,5-6,9-11,17,20H,4,7-8,12H2
InChIKeySQCJULPBKMYTAA-UHFFFAOYSA-N
XLogP3.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-diphenyl-1,4-diazepane
CID 64944093
1-(3-fluoro-4-methylphenyl)-3-phenyl-1,4-diazepane
CID 64944476
1-(2,6-difluorophenyl)-3-phenyl-1,4-diazepane
CID 64944507
1-(3-methylphenyl)-3-phenyl-1,4-diazepane
CID 64944303
1-(2-chloro-5-fluorophenyl)-3-phenyl-1,4-diazepane
CID 107531557
1-(5-bromo-2-fluorophenyl)-3-phenyl-1,4-diazepane
CID 64944133
1-(1-methylpyrazol-4-yl)-3-phenyl-1,4-diazepane
CID 64943935
1-(2,5-dibromophenyl)-3-phenyl-1,4-diazepane
CID 64943420
(3R)-1-methyl-3-phenyl-1,4-diazepane
CID 94983002
1-(4-bromo-2-chlorophenyl)-3-phenyl-1,4-diazepane
CID 64944181
3-phenyl-1-(2,2,3,3-tetrafluoropropyl)-1,4-diazepane
CID 106294194
1-(3-iodophenyl)-3-phenylpiperazine
CID 64926086

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-phenyl-1,4-diazepane?
The IUPAC name of 1-(3,5-difluorophenyl)-3-phenyl-1,4-diazepane (CID 64943123) is 1-(3,5-difluorophenyl)-3-phenyl-1,4-diazepane.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-phenyl-1,4-diazepane?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-phenyl-1,4-diazepane is Fc1cc(F)cc(N2CCCNC(c3ccccc3)C2)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-phenyl-1,4-diazepane?
The InChIKey is SQCJULPBKMYTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2/c18-14-9-15(19)11-16(10-14)21-8-4-7-20-17(12-21)13-5-2-1-3-6-13/h1-3,5-6,9-11,17,20H,4,7-8,12H2.
What are the key properties of 1-(3,5-difluorophenyl)-3-phenyl-1,4-diazepane?
1-(3,5-difluorophenyl)-3-phenyl-1,4-diazepane has a molecular weight of 288.34 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-phenyl-1,4-diazepane is sourced from PubChem (CID 64943123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).