tert-butyl N-[(Z)-3-fluoro-4-[6-(4-fluorophenyl)-3-pyridinyl]-2-methylbut-3-en-2-yl]carbamate

C21H24F2N2O2 — CID 138979318

IUPACtert-butyl N-[(Z)-3-fluoro-4-[6-(4-fluorophenyl)-3-pyridinyl]-2-methylbut-3-en-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)/C(F)=C/c1ccc(-c2ccc(F)cc2)nc1
InChIInChI=1S/C21H24F2N2O2/c1-20(2,3)27-19(26)25-21(4,5)18(23)12-14-6-11-17(24-13-14)15-7-9-16(22)10-8-15/h6-13H,1-5H3,(H,25,26)/b18-12-
InChIKeyJQHUCWHBQDKXAM-PDGQHHTCSA-N
MW374.43 g/mol
LogP5.50
Rot. Bonds4

About tert-butyl N-[(Z)-3-fluoro-4-[6-(4-fluorophenyl)-3-pyridinyl]-2-methylbut-3-en-2-yl]carbamate

tert-butyl N-[(Z)-3-fluoro-4-[6-(4-fluorophenyl)-3-pyridinyl]-2-methylbut-3-en-2-yl]carbamate (PubChem CID 138979318) has the molecular formula C21H24F2N2O2 and a molecular weight of 374.43 g/mol. Its IUPAC name is tert-butyl N-[(Z)-3-fluoro-4-[6-(4-fluorophenyl)-3-pyridinyl]-2-methylbut-3-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-3-fluoro-4-[6-(4-fluorophenyl)-3-pyridinyl]-2-methylbut-3-en-2-yl]carbamate
PubChem CID138979318
Molecular FormulaC21H24F2N2O2
Molecular Weight374.43 g/mol
Exact Mass374.18
IUPAC Nametert-butyl N-[(Z)-3-fluoro-4-[6-(4-fluorophenyl)-3-pyridinyl]-2-methylbut-3-en-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)/C(F)=C/c1ccc(-c2ccc(F)cc2)nc1
InChIInChI=1S/C21H24F2N2O2/c1-20(2,3)27-19(26)25-21(4,5)18(23)12-14-6-11-17(24-13-14)15-7-9-16(22)10-8-15/h6-13H,1-5H3,(H,25,26)/b18-12-
InChIKeyJQHUCWHBQDKXAM-PDGQHHTCSA-N
XLogP5.50
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.43
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(Z)-3-fluoro-4-[6-(4-fluorophenyl)-3-pyridinyl]-2-methylbut-3-en-2-yl]carbamate with MolForge

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Related Compounds

methyl N-{4-[(pyridin-4-yl)methyl]phenyl}carbamate
CID 673870
3-[4-(5-Pentyl-2-pyridinyl)phenyl]acrylamide
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N-(4-((2-(pyridin-3-yl)-5,6-dihydropyridin-3(4H)-ylidene)methyl)phenyl)acetamide
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Ethyl 4-(4-pyridinylmethyl)phenylcarbamate
CID 1508484
N-[(4-fluorophenyl)(3-pyridinyl)methyl]acetamide
CID 4455335
tert-butyl N-[4-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]phenyl]carbamate
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tert-butyl N-[2-fluoro-4-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]phenyl]carbamate
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Tert-butyl 4-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate
CID 56682377
[(1R,3aS,7aS)-1-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-2-methyl-1,3,3a,4,5,6,7,7a-octahydroinden-2-yl] carbamate
CID 72547556
methyl N-[(1R,3aS,7aS)-1-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]carbamate
CID 76335371
tert-Butyl 4''-(pyridin-4-ylmethyl)biphenyl-4-yl carbamate
CID 46901778
tert-Butyl 2-(4-(pyridin-2-yl)benzyl)hydrazinecarboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-3-fluoro-4-[6-(4-fluorophenyl)-3-pyridinyl]-2-methylbut-3-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(Z)-3-fluoro-4-[6-(4-fluorophenyl)-3-pyridinyl]-2-methylbut-3-en-2-yl]carbamate (CID 138979318) is tert-butyl N-[(Z)-3-fluoro-4-[6-(4-fluorophenyl)-3-pyridinyl]-2-methylbut-3-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-3-fluoro-4-[6-(4-fluorophenyl)-3-pyridinyl]-2-methylbut-3-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-3-fluoro-4-[6-(4-fluorophenyl)-3-pyridinyl]-2-methylbut-3-en-2-yl]carbamate is CC(C)(C)OC(=O)NC(C)(C)/C(F)=C/c1ccc(-c2ccc(F)cc2)nc1.
What is the InChIKey of tert-butyl N-[(Z)-3-fluoro-4-[6-(4-fluorophenyl)-3-pyridinyl]-2-methylbut-3-en-2-yl]carbamate?
The InChIKey is JQHUCWHBQDKXAM-PDGQHHTCSA-N. The full InChI is InChI=1S/C21H24F2N2O2/c1-20(2,3)27-19(26)25-21(4,5)18(23)12-14-6-11-17(24-13-14)15-7-9-16(22)10-8-15/h6-13H,1-5H3,(H,25,26)/b18-12-.
What are the key properties of tert-butyl N-[(Z)-3-fluoro-4-[6-(4-fluorophenyl)-3-pyridinyl]-2-methylbut-3-en-2-yl]carbamate?
tert-butyl N-[(Z)-3-fluoro-4-[6-(4-fluorophenyl)-3-pyridinyl]-2-methylbut-3-en-2-yl]carbamate has a molecular weight of 374.43 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-3-fluoro-4-[6-(4-fluorophenyl)-3-pyridinyl]-2-methylbut-3-en-2-yl]carbamate is sourced from PubChem (CID 138979318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).