tert-butyl N-[[2-[2-(4-fluorophenyl)phenyl]cyclopropyl]methyl]carbamate

C21H24FNO2 — CID 68925073

IUPACtert-butyl N-[[2-[2-(4-fluorophenyl)phenyl]cyclopropyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CC1c1ccccc1-c1ccc(F)cc1
InChIInChI=1S/C21H24FNO2/c1-21(2,3)25-20(24)23-13-15-12-19(15)18-7-5-4-6-17(18)14-8-10-16(22)11-9-14/h4-11,15,19H,12-13H2,1-3H3,(H,23,24)
InChIKeyUIIMLUVWBRVKOY-UHFFFAOYSA-N
MW341.43 g/mol
LogP5.12
Rot. Bonds4

About tert-butyl N-[[2-[2-(4-fluorophenyl)phenyl]cyclopropyl]methyl]carbamate

tert-butyl N-[[2-[2-(4-fluorophenyl)phenyl]cyclopropyl]methyl]carbamate (PubChem CID 68925073) has the molecular formula C21H24FNO2 and a molecular weight of 341.43 g/mol. Its IUPAC name is tert-butyl N-[[2-[2-(4-fluorophenyl)phenyl]cyclopropyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[2-(4-fluorophenyl)phenyl]cyclopropyl]methyl]carbamate
PubChem CID68925073
Molecular FormulaC21H24FNO2
Molecular Weight341.43 g/mol
Exact Mass341.18
IUPAC Nametert-butyl N-[[2-[2-(4-fluorophenyl)phenyl]cyclopropyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CC1c1ccccc1-c1ccc(F)cc1
InChIInChI=1S/C21H24FNO2/c1-21(2,3)25-20(24)23-13-15-12-19(15)18-7-5-4-6-17(18)14-8-10-16(22)11-9-14/h4-11,15,19H,12-13H2,1-3H3,(H,23,24)
InChIKeyUIIMLUVWBRVKOY-UHFFFAOYSA-N
XLogP5.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.43
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[[2-(2-bromophenyl)cyclopropyl]methyl]carbamate;tert-butyl N-[[2-[2-(4-fluorophenyl)phenyl]cyclopropyl]methyl]carbamate
CID 69412013
tert-butyl N-[(2-fluoro-6H-benzo[b][1,4]benzodioxepin-6-yl)methyl]carbamate
CID 165410078
tert-butyl N-[[2-(4,5-difluoro-2-propoxyphenyl)cyclopropyl]methyl]carbamate
CID 122461943
tert-butyl N-[(4-phenylpyrrolidin-3-yl)methyl]carbamate
CID 53439169
tert-butyl N-[[(3S,4R)-4-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl]methyl]carbamate
CID 95241558
tert-butyl N-[[2-(4-fluorophenyl)pyrrolidin-3-yl]methyl]carbamate
CID 84815325
tert-butyl N-[(4-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl)methyl]carbamate
CID 54593034
tert-butyl N-[[2-(4-bromophenyl)cyclopropyl]methyl]carbamate;tert-butyl N-[[2-[4-(furan-2-yl)phenyl]cyclopropyl]methyl]carbamate
CID 69400908
tert-butyl N-[[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
CID 54508175
tert-butyl N-[[(1R,2R)-2-fluorocyclopropyl]methyl]carbamate
CID 178194635
2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,3-dihydro-1H-indene-1-carboxylic acid
CID 170945283
tert-butyl N-[[2-(4-fluoroanilino)cyclohexyl]methyl]carbamate
CID 103695365

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[2-(4-fluorophenyl)phenyl]cyclopropyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[2-(4-fluorophenyl)phenyl]cyclopropyl]methyl]carbamate (CID 68925073) is tert-butyl N-[[2-[2-(4-fluorophenyl)phenyl]cyclopropyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[2-(4-fluorophenyl)phenyl]cyclopropyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[2-(4-fluorophenyl)phenyl]cyclopropyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CC1c1ccccc1-c1ccc(F)cc1.
What is the InChIKey of tert-butyl N-[[2-[2-(4-fluorophenyl)phenyl]cyclopropyl]methyl]carbamate?
The InChIKey is UIIMLUVWBRVKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO2/c1-21(2,3)25-20(24)23-13-15-12-19(15)18-7-5-4-6-17(18)14-8-10-16(22)11-9-14/h4-11,15,19H,12-13H2,1-3H3,(H,23,24).
What are the key properties of tert-butyl N-[[2-[2-(4-fluorophenyl)phenyl]cyclopropyl]methyl]carbamate?
tert-butyl N-[[2-[2-(4-fluorophenyl)phenyl]cyclopropyl]methyl]carbamate has a molecular weight of 341.43 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[2-(4-fluorophenyl)phenyl]cyclopropyl]methyl]carbamate is sourced from PubChem (CID 68925073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).