tert-butyl N-[(3-fluoro-5-phenylphenyl)methyl]carbamate

C18H20FNO2 — CID 151221756

IUPACtert-butyl N-[(3-fluoro-5-phenylphenyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cc(F)cc(-c2ccccc2)c1
InChIInChI=1S/C18H20FNO2/c1-18(2,3)22-17(21)20-12-13-9-15(11-16(19)10-13)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,20,21)
InChIKeyNMKZXXGSHOMLMF-UHFFFAOYSA-N
MW301.36 g/mol
LogP4.52
Rot. Bonds3

About tert-butyl N-[(3-fluoro-5-phenylphenyl)methyl]carbamate

tert-butyl N-[(3-fluoro-5-phenylphenyl)methyl]carbamate (PubChem CID 151221756) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is tert-butyl N-[(3-fluoro-5-phenylphenyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3-fluoro-5-phenylphenyl)methyl]carbamate
PubChem CID151221756
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Nametert-butyl N-[(3-fluoro-5-phenylphenyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cc(F)cc(-c2ccccc2)c1
InChIInChI=1S/C18H20FNO2/c1-18(2,3)22-17(21)20-12-13-9-15(11-16(19)10-13)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,20,21)
InChIKeyNMKZXXGSHOMLMF-UHFFFAOYSA-N
XLogP4.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-fluoro-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid
CID 124848654
methyl 2-[2-[[3-bromo-5-[3-fluoro-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]phenyl]methoxy]phenyl]acetate
CID 172524390
tert-butyl N-[[3-(3-hydroxyphenyl)phenyl]methyl]carbamate
CID 58911434
tert-butyl N-[[3-[3-(aminomethyl)phenyl]phenyl]methyl]carbamate
CID 110282100
tert-butyl N-[[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]carbamate
CID 58393262
tert-butyl N-[[3-[(benzylamino)methyl]phenyl]methyl]carbamate
CID 66616766
tert-butyl N-[[3-fluoro-5-[1-(3-methylsulfonylphenyl)pyrazol-4-yl]phenyl]methyl]carbamate
CID 170765792
tert-butyl N-[[3-fluoro-5-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]phenyl]methyl]carbamate
CID 170765514
tert-butyl N-[1-[(3-bromo-5-fluorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 55979375
tert-butyl N-[[3-(hydroxymethyl)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl]carbamate
CID 139721370
tert-butyl N-[[3-(3-carbamoylphenyl)phenyl]methyl]carbamate
CID 141438103
[3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-fluorophenyl]methylcarbamic acid
CID 68910061

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3-fluoro-5-phenylphenyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(3-fluoro-5-phenylphenyl)methyl]carbamate (CID 151221756) is tert-butyl N-[(3-fluoro-5-phenylphenyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(3-fluoro-5-phenylphenyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(3-fluoro-5-phenylphenyl)methyl]carbamate is CC(C)(C)OC(=O)NCc1cc(F)cc(-c2ccccc2)c1.
What is the InChIKey of tert-butyl N-[(3-fluoro-5-phenylphenyl)methyl]carbamate?
The InChIKey is NMKZXXGSHOMLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-18(2,3)22-17(21)20-12-13-9-15(11-16(19)10-13)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-[(3-fluoro-5-phenylphenyl)methyl]carbamate?
tert-butyl N-[(3-fluoro-5-phenylphenyl)methyl]carbamate has a molecular weight of 301.36 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3-fluoro-5-phenylphenyl)methyl]carbamate is sourced from PubChem (CID 151221756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).