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

C14H20ClFN2O2 — CID 163278312

IUPACtert-butyl N-[1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-N-ethylcarbamate
SMILESCCN(C(=O)OC(C)(C)C)C(C)c1cc(Cl)c(F)cn1
InChIInChI=1S/C14H20ClFN2O2/c1-6-18(13(19)20-14(3,4)5)9(2)12-7-10(15)11(16)8-17-12/h7-9H,6H2,1-5H3
InChIKeyBZAWUUILHPQQQE-UHFFFAOYSA-N
MW302.78 g/mol
LogP4.19
Rot. Bonds3

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

tert-butyl N-[1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-N-ethylcarbamate (PubChem CID 163278312) has the molecular formula C14H20ClFN2O2 and a molecular weight of 302.78 g/mol. Its IUPAC name is tert-butyl N-[1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-N-ethylcarbamate
PubChem CID163278312
Molecular FormulaC14H20ClFN2O2
Molecular Weight302.78 g/mol
Exact Mass302.12
IUPAC Nametert-butyl N-[1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-N-ethylcarbamate
SMILESCCN(C(=O)OC(C)(C)C)C(C)c1cc(Cl)c(F)cn1
InChIInChI=1S/C14H20ClFN2O2/c1-6-18(13(19)20-14(3,4)5)9(2)12-7-10(15)11(16)8-17-12/h7-9H,6H2,1-5H3
InChIKeyBZAWUUILHPQQQE-UHFFFAOYSA-N
XLogP4.19
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 54.19
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-cyclopropylcarbamate
CID 163278237
[2-[(1R)-1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-4-pyridinyl]boronic acid
CID 163278196
1-(4-chloro-5-fluoro-2-pyridinyl)ethyl N-ethylcarbamate
CID 169005645
tert-butyl N-[(4-bromo-5-fluoro-2-pyridinyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 134191898
tert-butyl N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 87174502
tert-butyl N-[(5,6-dichloro-3-pyridinyl)methyl]-N-methoxycarbamate
CID 86634701
tert-butyl N-[(1R)-1-[4-(4-but-3-enoxy-7-methylimidazo[2,1-f][1,2,4]triazin-2-yl)-5-methoxy-2-pyridinyl]ethyl]-N-ethylcarbamate
CID 163278934
(R)-N-[(1R)-1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 163278122
(2S)-2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(2-fluorophenoxy)propanoic acid
CID 170896953
tert-butyl N-(6-chloro-4-methyl-3-pyridinyl)-N-ethylcarbamate
CID 165411532
tert-butyl N-[2-chloro-3-[(E)-2-ethoxyethenyl]-5-fluoro-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 177300717
(2S)-2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylbutanoic acid
CID 146192524

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-N-ethylcarbamate?
The IUPAC name of tert-butyl N-[1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-N-ethylcarbamate (CID 163278312) is tert-butyl N-[1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-[1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-[1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-N-ethylcarbamate is CCN(C(=O)OC(C)(C)C)C(C)c1cc(Cl)c(F)cn1.
What is the InChIKey of tert-butyl N-[1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-N-ethylcarbamate?
The InChIKey is BZAWUUILHPQQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2O2/c1-6-18(13(19)20-14(3,4)5)9(2)12-7-10(15)11(16)8-17-12/h7-9H,6H2,1-5H3.
What are the key properties of tert-butyl N-[1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-N-ethylcarbamate?
tert-butyl N-[1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-N-ethylcarbamate has a molecular weight of 302.78 g/mol, XLogP of 4.19, 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-ethylcarbamate is sourced from PubChem (CID 163278312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).