3-(benzhydrylamino)-1-(4-fluorophenyl)propan-1-one

C22H20FNO — CID 15085637

IUPAC3-(benzhydrylamino)-1-(4-fluorophenyl)propan-1-one
SMILESO=C(CCNC(c1ccccc1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C22H20FNO/c23-20-13-11-17(12-14-20)21(25)15-16-24-22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,22,24H,15-16H2
InChIKeyUYSNVLNOBSRQQE-UHFFFAOYSA-N
MW333.41 g/mol
LogP4.78
Rot. Bonds7

About 3-(benzhydrylamino)-1-(4-fluorophenyl)propan-1-one

3-(benzhydrylamino)-1-(4-fluorophenyl)propan-1-one (PubChem CID 15085637) has the molecular formula C22H20FNO and a molecular weight of 333.41 g/mol. Its IUPAC name is 3-(benzhydrylamino)-1-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-(benzhydrylamino)-1-(4-fluorophenyl)propan-1-one
PubChem CID15085637
Molecular FormulaC22H20FNO
Molecular Weight333.41 g/mol
Exact Mass333.15
IUPAC Name3-(benzhydrylamino)-1-(4-fluorophenyl)propan-1-one
SMILESO=C(CCNC(c1ccccc1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C22H20FNO/c23-20-13-11-17(12-14-20)21(25)15-16-24-22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,22,24H,15-16H2
InChIKeyUYSNVLNOBSRQQE-UHFFFAOYSA-N
XLogP4.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(benzhydrylamino)-1-(4-fluorophenyl)propan-1-one?
The IUPAC name of 3-(benzhydrylamino)-1-(4-fluorophenyl)propan-1-one (CID 15085637) is 3-(benzhydrylamino)-1-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-(benzhydrylamino)-1-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 3-(benzhydrylamino)-1-(4-fluorophenyl)propan-1-one is O=C(CCNC(c1ccccc1)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 3-(benzhydrylamino)-1-(4-fluorophenyl)propan-1-one?
The InChIKey is UYSNVLNOBSRQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO/c23-20-13-11-17(12-14-20)21(25)15-16-24-22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,22,24H,15-16H2.
What are the key properties of 3-(benzhydrylamino)-1-(4-fluorophenyl)propan-1-one?
3-(benzhydrylamino)-1-(4-fluorophenyl)propan-1-one has a molecular weight of 333.41 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzhydrylamino)-1-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 15085637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).