benzyl N-[4-[2-(2-fluorophenyl)-2-hydroxyethoxy]cyclohexyl]carbamate

C22H26FNO4 — CID 58812750

IUPACbenzyl N-[4-[2-(2-fluorophenyl)-2-hydroxyethoxy]cyclohexyl]carbamate
SMILESO=C(NC1CCC(OCC(O)c2ccccc2F)CC1)OCc1ccccc1
InChIInChI=1S/C22H26FNO4/c23-20-9-5-4-8-19(20)21(25)15-27-18-12-10-17(11-13-18)24-22(26)28-14-16-6-2-1-3-7-16/h1-9,17-18,21,25H,10-15H2,(H,24,26)
InChIKeyUKIFSYUWRFGHED-UHFFFAOYSA-N
MW387.45 g/mol
LogP4.11
Rot. Bonds7

About benzyl N-[4-[2-(2-fluorophenyl)-2-hydroxyethoxy]cyclohexyl]carbamate

benzyl N-[4-[2-(2-fluorophenyl)-2-hydroxyethoxy]cyclohexyl]carbamate (PubChem CID 58812750) has the molecular formula C22H26FNO4 and a molecular weight of 387.45 g/mol. Its IUPAC name is benzyl N-[4-[2-(2-fluorophenyl)-2-hydroxyethoxy]cyclohexyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-[2-(2-fluorophenyl)-2-hydroxyethoxy]cyclohexyl]carbamate
PubChem CID58812750
Molecular FormulaC22H26FNO4
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Namebenzyl N-[4-[2-(2-fluorophenyl)-2-hydroxyethoxy]cyclohexyl]carbamate
SMILESO=C(NC1CCC(OCC(O)c2ccccc2F)CC1)OCc1ccccc1
InChIInChI=1S/C22H26FNO4/c23-20-9-5-4-8-19(20)21(25)15-27-18-12-10-17(11-13-18)24-22(26)28-14-16-6-2-1-3-7-16/h1-9,17-18,21,25H,10-15H2,(H,24,26)
InChIKeyUKIFSYUWRFGHED-UHFFFAOYSA-N
XLogP4.11
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[4-[[4-(phenylmethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 10345017
benzyl N-(4-iodocyclohexyl)carbamate
CID 66569099
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
[(1S,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl] formate
CID 86744910
benzyl N-[4-[(Z)-2-bromo-3-phenylprop-2-enoxy]cyclohexyl]carbamate
CID 58812770
[4-(phenylmethoxycarbonylamino)cyclohexyl]methylazanium
CID 86306720
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate
CID 138958096
2-[4-(phenylmethoxycarbonylamino)piperidin-1-yl]acetic acid
CID 66566868
benzyl N-(4-propylcyclohexyl)carbamate
CID 130580975
benzyl N-cyclopent-3-en-1-ylcarbamate
CID 10751243
ethyl N-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]carbamate
CID 110892585

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-[2-(2-fluorophenyl)-2-hydroxyethoxy]cyclohexyl]carbamate?
The IUPAC name of benzyl N-[4-[2-(2-fluorophenyl)-2-hydroxyethoxy]cyclohexyl]carbamate (CID 58812750) is benzyl N-[4-[2-(2-fluorophenyl)-2-hydroxyethoxy]cyclohexyl]carbamate.
What is the SMILES notation for benzyl N-[4-[2-(2-fluorophenyl)-2-hydroxyethoxy]cyclohexyl]carbamate?
The canonical SMILES for benzyl N-[4-[2-(2-fluorophenyl)-2-hydroxyethoxy]cyclohexyl]carbamate is O=C(NC1CCC(OCC(O)c2ccccc2F)CC1)OCc1ccccc1.
What is the InChIKey of benzyl N-[4-[2-(2-fluorophenyl)-2-hydroxyethoxy]cyclohexyl]carbamate?
The InChIKey is UKIFSYUWRFGHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO4/c23-20-9-5-4-8-19(20)21(25)15-27-18-12-10-17(11-13-18)24-22(26)28-14-16-6-2-1-3-7-16/h1-9,17-18,21,25H,10-15H2,(H,24,26).
What are the key properties of benzyl N-[4-[2-(2-fluorophenyl)-2-hydroxyethoxy]cyclohexyl]carbamate?
benzyl N-[4-[2-(2-fluorophenyl)-2-hydroxyethoxy]cyclohexyl]carbamate has a molecular weight of 387.45 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-[2-(2-fluorophenyl)-2-hydroxyethoxy]cyclohexyl]carbamate is sourced from PubChem (CID 58812750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).