tert-butyl N-[1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropyl]carbamate

C21H24FNO3 — CID 155757790

IUPACtert-butyl N-[1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2cc(F)ccc2OCc2ccccc2)CC1
InChIInChI=1S/C21H24FNO3/c1-20(2,3)26-19(24)23-21(11-12-21)17-13-16(22)9-10-18(17)25-14-15-7-5-4-6-8-15/h4-10,13H,11-12,14H2,1-3H3,(H,23,24)
InChIKeyLWDKVMPRAHTOOU-UHFFFAOYSA-N
MW357.43 g/mol
LogP4.92
Rot. Bonds5

About tert-butyl N-[1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropyl]carbamate

tert-butyl N-[1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropyl]carbamate (PubChem CID 155757790) has the molecular formula C21H24FNO3 and a molecular weight of 357.43 g/mol. Its IUPAC name is tert-butyl N-[1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropyl]carbamate
PubChem CID155757790
Molecular FormulaC21H24FNO3
Molecular Weight357.43 g/mol
Exact Mass357.17
IUPAC Nametert-butyl N-[1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2cc(F)ccc2OCc2ccccc2)CC1
InChIInChI=1S/C21H24FNO3/c1-20(2,3)26-19(24)23-21(11-12-21)17-13-16(22)9-10-18(17)25-14-15-7-5-4-6-8-15/h4-10,13H,11-12,14H2,1-3H3,(H,23,24)
InChIKeyLWDKVMPRAHTOOU-UHFFFAOYSA-N
XLogP4.92
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropyl]carbamate (CID 155757790) is tert-butyl N-[1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1(c2cc(F)ccc2OCc2ccccc2)CC1.
What is the InChIKey of tert-butyl N-[1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropyl]carbamate?
The InChIKey is LWDKVMPRAHTOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO3/c1-20(2,3)26-19(24)23-21(11-12-21)17-13-16(22)9-10-18(17)25-14-15-7-5-4-6-8-15/h4-10,13H,11-12,14H2,1-3H3,(H,23,24).
What are the key properties of tert-butyl N-[1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropyl]carbamate?
tert-butyl N-[1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropyl]carbamate has a molecular weight of 357.43 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropyl]carbamate is sourced from PubChem (CID 155757790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).