tert-butyl N-[4-[1-(3,5-difluorophenyl)ethylamino]phenyl]carbamate

C19H22F2N2O2 — CID 113354871

IUPACtert-butyl N-[4-[1-(3,5-difluorophenyl)ethylamino]phenyl]carbamate
SMILESCC(Nc1ccc(NC(=O)OC(C)(C)C)cc1)c1cc(F)cc(F)c1
InChIInChI=1S/C19H22F2N2O2/c1-12(13-9-14(20)11-15(21)10-13)22-16-5-7-17(8-6-16)23-18(24)25-19(2,3)4/h5-12,22H,1-4H3,(H,23,24)
InChIKeyXCSYHPTXSPLCKH-UHFFFAOYSA-N
MW348.39 g/mol
LogP5.48
Rot. Bonds4

About tert-butyl N-[4-[1-(3,5-difluorophenyl)ethylamino]phenyl]carbamate

tert-butyl N-[4-[1-(3,5-difluorophenyl)ethylamino]phenyl]carbamate (PubChem CID 113354871) has the molecular formula C19H22F2N2O2 and a molecular weight of 348.39 g/mol. Its IUPAC name is tert-butyl N-[4-[1-(3,5-difluorophenyl)ethylamino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[1-(3,5-difluorophenyl)ethylamino]phenyl]carbamate
PubChem CID113354871
Molecular FormulaC19H22F2N2O2
Molecular Weight348.39 g/mol
Exact Mass348.16
IUPAC Nametert-butyl N-[4-[1-(3,5-difluorophenyl)ethylamino]phenyl]carbamate
SMILESCC(Nc1ccc(NC(=O)OC(C)(C)C)cc1)c1cc(F)cc(F)c1
InChIInChI=1S/C19H22F2N2O2/c1-12(13-9-14(20)11-15(21)10-13)22-16-5-7-17(8-6-16)23-18(24)25-19(2,3)4/h5-12,22H,1-4H3,(H,23,24)
InChIKeyXCSYHPTXSPLCKH-UHFFFAOYSA-N
XLogP5.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.39
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(4-propan-2-ylphenyl)carbamate
CID 10868278
tert-butyl N-[4-[[4-(4-fluorophenyl)phenyl]-hydroxymethyl]phenyl]carbamate
CID 155206873
tert-butyl N-[2-[1-(3,5-difluorophenyl)ethylamino]propyl]carbamate
CID 107248584
tert-butyl N-[4-[1-(4-methylpentan-2-ylamino)ethyl]phenyl]carbamate
CID 107253386
tert-butyl N-[4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]carbamate
CID 103936100
methyl N-[4-[1-(4-iodophenyl)ethylamino]phenyl]carbamate
CID 43787990
tert-butyl N-[1-(4-fluorophenyl)ethyl]carbamate
CID 63787964
tert-butyl N-[3-[1-(2-bromo-4-fluorophenyl)ethylamino]phenyl]carbamate
CID 114068440
tert-butyl N-[4-[(1-methoxy-3-methylbutan-2-yl)amino]phenyl]carbamate
CID 103936121
tert-butyl N-[3-[1-(2,3-difluorophenyl)ethylamino]phenyl]carbamate
CID 114058208
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 8647129
tert-butyl N-[4-[1-(cyclopentylmethylamino)ethyl]phenyl]carbamate
CID 107253394

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[1-(3,5-difluorophenyl)ethylamino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[1-(3,5-difluorophenyl)ethylamino]phenyl]carbamate (CID 113354871) is tert-butyl N-[4-[1-(3,5-difluorophenyl)ethylamino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[1-(3,5-difluorophenyl)ethylamino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[1-(3,5-difluorophenyl)ethylamino]phenyl]carbamate is CC(Nc1ccc(NC(=O)OC(C)(C)C)cc1)c1cc(F)cc(F)c1.
What is the InChIKey of tert-butyl N-[4-[1-(3,5-difluorophenyl)ethylamino]phenyl]carbamate?
The InChIKey is XCSYHPTXSPLCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O2/c1-12(13-9-14(20)11-15(21)10-13)22-16-5-7-17(8-6-16)23-18(24)25-19(2,3)4/h5-12,22H,1-4H3,(H,23,24).
What are the key properties of tert-butyl N-[4-[1-(3,5-difluorophenyl)ethylamino]phenyl]carbamate?
tert-butyl N-[4-[1-(3,5-difluorophenyl)ethylamino]phenyl]carbamate has a molecular weight of 348.39 g/mol, XLogP of 5.48, 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-[1-(3,5-difluorophenyl)ethylamino]phenyl]carbamate is sourced from PubChem (CID 113354871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).