tert-butyl N-[3-[1-(2,3-difluorophenyl)ethylamino]phenyl]carbamate

C19H22F2N2O2 — CID 114058208

IUPACtert-butyl N-[3-[1-(2,3-difluorophenyl)ethylamino]phenyl]carbamate
SMILESCC(Nc1cccc(NC(=O)OC(C)(C)C)c1)c1cccc(F)c1F
InChIInChI=1S/C19H22F2N2O2/c1-12(15-9-6-10-16(20)17(15)21)22-13-7-5-8-14(11-13)23-18(24)25-19(2,3)4/h5-12,22H,1-4H3,(H,23,24)
InChIKeySZNAKLWIEGSVDF-UHFFFAOYSA-N
MW348.39 g/mol
LogP5.48
Rot. Bonds4

About tert-butyl N-[3-[1-(2,3-difluorophenyl)ethylamino]phenyl]carbamate

tert-butyl N-[3-[1-(2,3-difluorophenyl)ethylamino]phenyl]carbamate (PubChem CID 114058208) has the molecular formula C19H22F2N2O2 and a molecular weight of 348.39 g/mol. Its IUPAC name is tert-butyl N-[3-[1-(2,3-difluorophenyl)ethylamino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[1-(2,3-difluorophenyl)ethylamino]phenyl]carbamate
PubChem CID114058208
Molecular FormulaC19H22F2N2O2
Molecular Weight348.39 g/mol
Exact Mass348.16
IUPAC Nametert-butyl N-[3-[1-(2,3-difluorophenyl)ethylamino]phenyl]carbamate
SMILESCC(Nc1cccc(NC(=O)OC(C)(C)C)c1)c1cccc(F)c1F
InChIInChI=1S/C19H22F2N2O2/c1-12(15-9-6-10-16(20)17(15)21)22-13-7-5-8-14(11-13)23-18(24)25-19(2,3)4/h5-12,22H,1-4H3,(H,23,24)
InChIKeySZNAKLWIEGSVDF-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-[3-[1-(2-bromo-4-fluorophenyl)ethylamino]phenyl]carbamate
CID 114068440
tert-butyl N-[3-[1-(5-chlorothiophen-2-yl)ethylamino]phenyl]carbamate
CID 107239977
tert-butyl N-[3-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]carbamate
CID 107239784
tert-butyl N-[3-[1-(1-methylpyrazol-4-yl)ethylamino]phenyl]carbamate
CID 107239819
tert-butyl N-[3-(1-methoxybutan-2-ylamino)phenyl]carbamate
CID 107239913
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]butanoic acid
CID 107239920
tert-butyl N-[4-[1-(3,5-difluorophenyl)ethylamino]phenyl]carbamate
CID 113354871
tert-butyl N-[3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]phenyl]carbamate
CID 9191948
tert-butyl N-[3-(2,2-dimethylpropylamino)phenyl]carbamate
CID 107239782
tert-butyl N-(3-sulfanylphenyl)carbamate
CID 11436060
tert-butyl N-[3-(3-fluoro-4-hydroxyphenyl)phenyl]carbamate
CID 53219774
methyl N-[3-(1-phenylethylamino)phenyl]carbamate
CID 60942216

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[1-(2,3-difluorophenyl)ethylamino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[1-(2,3-difluorophenyl)ethylamino]phenyl]carbamate (CID 114058208) is tert-butyl N-[3-[1-(2,3-difluorophenyl)ethylamino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[1-(2,3-difluorophenyl)ethylamino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[1-(2,3-difluorophenyl)ethylamino]phenyl]carbamate is CC(Nc1cccc(NC(=O)OC(C)(C)C)c1)c1cccc(F)c1F.
What is the InChIKey of tert-butyl N-[3-[1-(2,3-difluorophenyl)ethylamino]phenyl]carbamate?
The InChIKey is SZNAKLWIEGSVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O2/c1-12(15-9-6-10-16(20)17(15)21)22-13-7-5-8-14(11-13)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-[3-[1-(2,3-difluorophenyl)ethylamino]phenyl]carbamate?
tert-butyl N-[3-[1-(2,3-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-[3-[1-(2,3-difluorophenyl)ethylamino]phenyl]carbamate is sourced from PubChem (CID 114058208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).