tert-butyl N-[1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-N-cyclopropylcarbamate

C15H20ClFN2O2 — CID 163278237

IUPACtert-butyl N-[1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-N-cyclopropylcarbamate
SMILESCC(c1cc(Cl)c(F)cn1)N(C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C15H20ClFN2O2/c1-9(13-7-11(16)12(17)8-18-13)19(10-5-6-10)14(20)21-15(2,3)4/h7-10H,5-6H2,1-4H3
InChIKeyVEUGFNWQVLMSRG-UHFFFAOYSA-N
MW314.79 g/mol
LogP4.33
Rot. Bonds3

About tert-butyl N-[1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-N-cyclopropylcarbamate

tert-butyl N-[1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-N-cyclopropylcarbamate (PubChem CID 163278237) has the molecular formula C15H20ClFN2O2 and a molecular weight of 314.79 g/mol. Its IUPAC name is tert-butyl N-[1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-N-cyclopropylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-N-cyclopropylcarbamate
PubChem CID163278237
Molecular FormulaC15H20ClFN2O2
Molecular Weight314.79 g/mol
Exact Mass314.12
IUPAC Nametert-butyl N-[1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-N-cyclopropylcarbamate
SMILESCC(c1cc(Cl)c(F)cn1)N(C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C15H20ClFN2O2/c1-9(13-7-11(16)12(17)8-18-13)19(10-5-6-10)14(20)21-15(2,3)4/h7-10H,5-6H2,1-4H3
InChIKeyVEUGFNWQVLMSRG-UHFFFAOYSA-N
XLogP4.33
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-N-ethylcarbamate
CID 163278312
2-(3-chloro-5-fluorophenyl)-2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 104928573
2-(3-chloro-2-fluorophenyl)-2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 104930279
tert-butyl N-cyclopropyl-N-[2-[1-(5-fluoro-2-pyridinyl)ethylamino]ethyl]carbamate
CID 103894803
tert-butyl N-[1-[4-[[tert-butyl(dimethyl)silyl]sulfamoyl]-3-fluorophenyl]ethyl]-N-cyclobutylcarbamate
CID 174041563
tert-butyl N-[(1S)-1-(2-chloro-6-propylpyrimidin-4-yl)ethyl]-N-pyrrolidin-3-ylcarbamate
CID 88922700
2-(2-oxo-1H-pyrimidin-5-yl)ethyl 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 155951645
1-(4-chloro-5-fluoro-2-pyridinyl)ethyl N-ethylcarbamate
CID 169005645
(R)-N-[(1R)-1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 163278122
tert-butyl N-[(4-bromo-2,5-difluorophenyl)methyl]-N-cyclopropylcarbamate
CID 164572023
tert-butyl N-cyclopropyl-N-[2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]carbamate
CID 69406259
tert-butyl N-cyclopropyl-N-(3-oxohexan-2-yl)carbamate
CID 165464943

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-N-cyclopropylcarbamate?
The IUPAC name of tert-butyl N-[1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-N-cyclopropylcarbamate (CID 163278237) is tert-butyl N-[1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-N-cyclopropylcarbamate.
What is the SMILES notation for tert-butyl N-[1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-N-cyclopropylcarbamate?
The canonical SMILES for tert-butyl N-[1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-N-cyclopropylcarbamate is CC(c1cc(Cl)c(F)cn1)N(C(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl N-[1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-N-cyclopropylcarbamate?
The InChIKey is VEUGFNWQVLMSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O2/c1-9(13-7-11(16)12(17)8-18-13)19(10-5-6-10)14(20)21-15(2,3)4/h7-10H,5-6H2,1-4H3.
What are the key properties of tert-butyl N-[1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-N-cyclopropylcarbamate?
tert-butyl N-[1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-N-cyclopropylcarbamate has a molecular weight of 314.79 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-N-cyclopropylcarbamate is sourced from PubChem (CID 163278237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).