tert-butyl N-[2-(3,5-difluorophenyl)-2-pyridin-4-ylethyl]carbamate

C18H20F2N2O2 — CID 171661700

IUPACtert-butyl N-[2-(3,5-difluorophenyl)-2-pyridin-4-ylethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(c1ccncc1)c1cc(F)cc(F)c1
InChIInChI=1S/C18H20F2N2O2/c1-18(2,3)24-17(23)22-11-16(12-4-6-21-7-5-12)13-8-14(19)10-15(20)9-13/h4-10,16H,11H2,1-3H3,(H,22,23)
InChIKeyAKIJNHXGZFQOCZ-UHFFFAOYSA-N
MW334.37 g/mol
LogP4.02
Rot. Bonds4

About tert-butyl N-[2-(3,5-difluorophenyl)-2-pyridin-4-ylethyl]carbamate

tert-butyl N-[2-(3,5-difluorophenyl)-2-pyridin-4-ylethyl]carbamate (PubChem CID 171661700) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is tert-butyl N-[2-(3,5-difluorophenyl)-2-pyridin-4-ylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3,5-difluorophenyl)-2-pyridin-4-ylethyl]carbamate
PubChem CID171661700
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Nametert-butyl N-[2-(3,5-difluorophenyl)-2-pyridin-4-ylethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(c1ccncc1)c1cc(F)cc(F)c1
InChIInChI=1S/C18H20F2N2O2/c1-18(2,3)24-17(23)22-11-16(12-4-6-21-7-5-12)13-8-14(19)10-15(20)9-13/h4-10,16H,11H2,1-3H3,(H,22,23)
InChIKeyAKIJNHXGZFQOCZ-UHFFFAOYSA-N
XLogP4.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-{4-[(pyridin-4-yl)methyl]phenyl}carbamate
CID 673870
Tert-Butyl [(2s)-1-({3-Oxo-3-[(Pyridin-3-Ylmethyl)amino]propyl}sulfanyl)-3-Phenylpropan-2-Yl]carbamate
CID 91885509
1,1,1,3,3,3-hexafluoropropan-2-yl N-methyl-N-[(3-pyridin-4-ylphenyl)methyl]carbamate
CID 71656525
(E)-3-(2-fluorophenyl)-N-[(1S)-1-[3-(6-fluoro-3-pyridinyl)phenyl]ethyl]prop-2-enamide
CID 10270128
(E)-5,5-bis(3-fluorophenyl)-N-[4-(3-pyridinyl)butyl]-2,4-pentadienamide
CID 14347330
(E)-5,5-bis(4-fluorophenyl)-N-[4-(3-pyridinyl) butyl]-2,4-pentadienamide
CID 14347332
5,5-Bis-(3-fluoro-phenyl)-penta-2,4-dienoic acid (1-methyl-4-pyridin-3-yl-butyl)-amide
CID 14347348
(2E)-5,5-bis(3-fluorophenyl)-N-[(2S)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide
CID 14347349
5,5-Bis-(4-fluoro-phenyl)-penta-2,4-dienoic acid (1-methyl-4-pyridin-3-yl-butyl)-amide
CID 14347351
(2E)-5,5-bis(4-fluorophenyl)-N-[(2S)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide
CID 14347352
Ethyl 4-(4-pyridinylmethyl)phenylcarbamate
CID 1508484
Tert-Butyl {6-Oxo-6-[(Pyridin-3-Ylmethyl)amino]hexyl}carbamate
CID 91885508

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3,5-difluorophenyl)-2-pyridin-4-ylethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3,5-difluorophenyl)-2-pyridin-4-ylethyl]carbamate (CID 171661700) is tert-butyl N-[2-(3,5-difluorophenyl)-2-pyridin-4-ylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3,5-difluorophenyl)-2-pyridin-4-ylethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3,5-difluorophenyl)-2-pyridin-4-ylethyl]carbamate is CC(C)(C)OC(=O)NCC(c1ccncc1)c1cc(F)cc(F)c1.
What is the InChIKey of tert-butyl N-[2-(3,5-difluorophenyl)-2-pyridin-4-ylethyl]carbamate?
The InChIKey is AKIJNHXGZFQOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c1-18(2,3)24-17(23)22-11-16(12-4-6-21-7-5-12)13-8-14(19)10-15(20)9-13/h4-10,16H,11H2,1-3H3,(H,22,23).
What are the key properties of tert-butyl N-[2-(3,5-difluorophenyl)-2-pyridin-4-ylethyl]carbamate?
tert-butyl N-[2-(3,5-difluorophenyl)-2-pyridin-4-ylethyl]carbamate has a molecular weight of 334.37 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3,5-difluorophenyl)-2-pyridin-4-ylethyl]carbamate is sourced from PubChem (CID 171661700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).