tert-butyl N-[4-[[4-(4-fluorophenyl)phenyl]-hydroxymethyl]phenyl]carbamate

C24H24FNO3 — CID 155206873

IUPACtert-butyl N-[4-[[4-(4-fluorophenyl)phenyl]-hydroxymethyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C(O)c2ccc(-c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C24H24FNO3/c1-24(2,3)29-23(28)26-21-14-10-19(11-15-21)22(27)18-6-4-16(5-7-18)17-8-12-20(25)13-9-17/h4-15,22,27H,1-3H3,(H,26,28)
InChIKeyHYEOGMASHVNQQP-UHFFFAOYSA-N
MW393.46 g/mol
LogP5.92
Rot. Bonds4

About tert-butyl N-[4-[[4-(4-fluorophenyl)phenyl]-hydroxymethyl]phenyl]carbamate

tert-butyl N-[4-[[4-(4-fluorophenyl)phenyl]-hydroxymethyl]phenyl]carbamate (PubChem CID 155206873) has the molecular formula C24H24FNO3 and a molecular weight of 393.46 g/mol. Its IUPAC name is tert-butyl N-[4-[[4-(4-fluorophenyl)phenyl]-hydroxymethyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[4-(4-fluorophenyl)phenyl]-hydroxymethyl]phenyl]carbamate
PubChem CID155206873
Molecular FormulaC24H24FNO3
Molecular Weight393.46 g/mol
Exact Mass393.17
IUPAC Nametert-butyl N-[4-[[4-(4-fluorophenyl)phenyl]-hydroxymethyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C(O)c2ccc(-c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C24H24FNO3/c1-24(2,3)29-23(28)26-21-14-10-19(11-15-21)22(27)18-6-4-16(5-7-18)17-8-12-20(25)13-9-17/h4-15,22,27H,1-3H3,(H,26,28)
InChIKeyHYEOGMASHVNQQP-UHFFFAOYSA-N
XLogP5.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.46
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[4-(4-hydroxyphenyl)phenyl]carbamate
CID 53218743
tert-butyl N-(4-propan-2-ylphenyl)carbamate
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tert-butyl N-[4-[1-(3,5-difluorophenyl)ethylamino]phenyl]carbamate
CID 113354871
tert-butyl N-[4-[2-(4-fluorophenyl)ethylamino]phenyl]carbamate
CID 112983477
tert-butyl N-[3-[hydroxy-(4-methylphenyl)methyl]phenyl]carbamate
CID 155571892
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 8647129
tert-butyl N-[4-(6-oxo-1H-pyridin-3-yl)phenyl]carbamate
CID 53218281
tert-butyl N-[1-(4-fluorophenyl)ethyl]carbamate
CID 63787964
tert-butyl N-[4-(4-fluorophenyl)-2-(methylamino)phenyl]carbamate
CID 147462087
tert-butyl N-[4-(3-hydroxy-4-methoxyphenyl)phenyl]carbamate
CID 53221133
tert-butyl N-(4-sulfanylphenyl)carbamate
CID 59412418
tert-butyl N-[4-[(6-ethyl-2-pyridinyl)-hydroxymethyl]phenyl]carbamate
CID 163299765

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[4-(4-fluorophenyl)phenyl]-hydroxymethyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[[4-(4-fluorophenyl)phenyl]-hydroxymethyl]phenyl]carbamate (CID 155206873) is tert-butyl N-[4-[[4-(4-fluorophenyl)phenyl]-hydroxymethyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[4-(4-fluorophenyl)phenyl]-hydroxymethyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[4-(4-fluorophenyl)phenyl]-hydroxymethyl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(C(O)c2ccc(-c3ccc(F)cc3)cc2)cc1.
What is the InChIKey of tert-butyl N-[4-[[4-(4-fluorophenyl)phenyl]-hydroxymethyl]phenyl]carbamate?
The InChIKey is HYEOGMASHVNQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO3/c1-24(2,3)29-23(28)26-21-14-10-19(11-15-21)22(27)18-6-4-16(5-7-18)17-8-12-20(25)13-9-17/h4-15,22,27H,1-3H3,(H,26,28).
What are the key properties of tert-butyl N-[4-[[4-(4-fluorophenyl)phenyl]-hydroxymethyl]phenyl]carbamate?
tert-butyl N-[4-[[4-(4-fluorophenyl)phenyl]-hydroxymethyl]phenyl]carbamate has a molecular weight of 393.46 g/mol, XLogP of 5.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[4-(4-fluorophenyl)phenyl]-hydroxymethyl]phenyl]carbamate is sourced from PubChem (CID 155206873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).