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

C19H23FN2O2 — CID 112983477

IUPACtert-butyl N-[4-[2-(4-fluorophenyl)ethylamino]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H23FN2O2/c1-19(2,3)24-18(23)22-17-10-8-16(9-11-17)21-13-12-14-4-6-15(20)7-5-14/h4-11,21H,12-13H2,1-3H3,(H,22,23)
InChIKeyZYRQRACPYZVZFP-UHFFFAOYSA-N
MW330.40 g/mol
LogP4.83
Rot. Bonds5

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

tert-butyl N-[4-[2-(4-fluorophenyl)ethylamino]phenyl]carbamate (PubChem CID 112983477) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is tert-butyl N-[4-[2-(4-fluorophenyl)ethylamino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-(4-fluorophenyl)ethylamino]phenyl]carbamate
PubChem CID112983477
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Nametert-butyl N-[4-[2-(4-fluorophenyl)ethylamino]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H23FN2O2/c1-19(2,3)24-18(23)22-17-10-8-16(9-11-17)21-13-12-14-4-6-15(20)7-5-14/h4-11,21H,12-13H2,1-3H3,(H,22,23)
InChIKeyZYRQRACPYZVZFP-UHFFFAOYSA-N
XLogP4.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 112983436
tert-butyl N-[4-[2-(1,1-difluoropropan-2-ylamino)ethyl]phenyl]carbamate
CID 107248690
methyl 2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]ethylamino]propanoate
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tert-butyl N-[4-[(trifluoromethylamino)methyl]phenyl]carbamate
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tert-butyl N-[4-[[4-(4-fluorophenyl)phenyl]-hydroxymethyl]phenyl]carbamate
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tert-butyl N-[4-[2-(1H-imidazol-2-ylmethylamino)ethyl]phenyl]carbamate
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6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-oxohexanoic acid
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tert-butyl N-[4-(7-methyloctyl)phenyl]carbamate
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tert-butyl N-[4-[2-[4-(difluoromethoxy)phenyl]ethylcarbamoyl]phenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-(4-fluorophenyl)ethylamino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-(4-fluorophenyl)ethylamino]phenyl]carbamate (CID 112983477) is tert-butyl N-[4-[2-(4-fluorophenyl)ethylamino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-(4-fluorophenyl)ethylamino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-(4-fluorophenyl)ethylamino]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(NCCc2ccc(F)cc2)cc1.
What is the InChIKey of tert-butyl N-[4-[2-(4-fluorophenyl)ethylamino]phenyl]carbamate?
The InChIKey is ZYRQRACPYZVZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-19(2,3)24-18(23)22-17-10-8-16(9-11-17)21-13-12-14-4-6-15(20)7-5-14/h4-11,21H,12-13H2,1-3H3,(H,22,23).
What are the key properties of tert-butyl N-[4-[2-(4-fluorophenyl)ethylamino]phenyl]carbamate?
tert-butyl N-[4-[2-(4-fluorophenyl)ethylamino]phenyl]carbamate has a molecular weight of 330.40 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-(4-fluorophenyl)ethylamino]phenyl]carbamate is sourced from PubChem (CID 112983477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).