2-(2-fluorophenyl)ethyl N-benzhydrylcarbamate

C22H20FNO2 — CID 6735855

IUPAC2-(2-fluorophenyl)ethyl N-benzhydrylcarbamate
SMILESO=C(NC(c1ccccc1)c1ccccc1)OCCc1ccccc1F
InChIInChI=1S/C22H20FNO2/c23-20-14-8-7-9-17(20)15-16-26-22(25)24-21(18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-14,21H,15-16H2,(H,24,25)
InChIKeyYFFOQAKGLNBBAU-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.88
Rot. Bonds6

About 2-(2-fluorophenyl)ethyl N-benzhydrylcarbamate

2-(2-fluorophenyl)ethyl N-benzhydrylcarbamate (PubChem CID 6735855) has the molecular formula C22H20FNO2 and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-(2-fluorophenyl)ethyl N-benzhydrylcarbamate.

Molecular Properties

Compound Name2-(2-fluorophenyl)ethyl N-benzhydrylcarbamate
PubChem CID6735855
Molecular FormulaC22H20FNO2
Molecular Weight349.41 g/mol
Exact Mass349.15
IUPAC Name2-(2-fluorophenyl)ethyl N-benzhydrylcarbamate
SMILESO=C(NC(c1ccccc1)c1ccccc1)OCCc1ccccc1F
InChIInChI=1S/C22H20FNO2/c23-20-14-8-7-9-17(20)15-16-26-22(25)24-21(18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-14,21H,15-16H2,(H,24,25)
InChIKeyYFFOQAKGLNBBAU-UHFFFAOYSA-N
XLogP4.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)ethyl N-benzhydrylcarbamate?
The IUPAC name of 2-(2-fluorophenyl)ethyl N-benzhydrylcarbamate (CID 6735855) is 2-(2-fluorophenyl)ethyl N-benzhydrylcarbamate.
What is the SMILES notation for 2-(2-fluorophenyl)ethyl N-benzhydrylcarbamate?
The canonical SMILES for 2-(2-fluorophenyl)ethyl N-benzhydrylcarbamate is O=C(NC(c1ccccc1)c1ccccc1)OCCc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)ethyl N-benzhydrylcarbamate?
The InChIKey is YFFOQAKGLNBBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO2/c23-20-14-8-7-9-17(20)15-16-26-22(25)24-21(18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-14,21H,15-16H2,(H,24,25).
What are the key properties of 2-(2-fluorophenyl)ethyl N-benzhydrylcarbamate?
2-(2-fluorophenyl)ethyl N-benzhydrylcarbamate has a molecular weight of 349.41 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)ethyl N-benzhydrylcarbamate is sourced from PubChem (CID 6735855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).