tert-butyl N-[4-(2,2-difluoro-2-pyridin-2-ylethyl)phenyl]carbamate

C18H20F2N2O2 — CID 146163172

IUPACtert-butyl N-[4-(2,2-difluoro-2-pyridin-2-ylethyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CC(F)(F)c2ccccn2)cc1
InChIInChI=1S/C18H20F2N2O2/c1-17(2,3)24-16(23)22-14-9-7-13(8-10-14)12-18(19,20)15-6-4-5-11-21-15/h4-11H,12H2,1-3H3,(H,22,23)
InChIKeyYTEQCMBDGRJQNT-UHFFFAOYSA-N
MW334.37 g/mol
LogP4.76
Rot. Bonds4

About tert-butyl N-[4-(2,2-difluoro-2-pyridin-2-ylethyl)phenyl]carbamate

tert-butyl N-[4-(2,2-difluoro-2-pyridin-2-ylethyl)phenyl]carbamate (PubChem CID 146163172) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is tert-butyl N-[4-(2,2-difluoro-2-pyridin-2-ylethyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(2,2-difluoro-2-pyridin-2-ylethyl)phenyl]carbamate
PubChem CID146163172
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Nametert-butyl N-[4-(2,2-difluoro-2-pyridin-2-ylethyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CC(F)(F)c2ccccn2)cc1
InChIInChI=1S/C18H20F2N2O2/c1-17(2,3)24-16(23)22-14-9-7-13(8-10-14)12-18(19,20)15-6-4-5-11-21-15/h4-11H,12H2,1-3H3,(H,22,23)
InChIKeyYTEQCMBDGRJQNT-UHFFFAOYSA-N
XLogP4.76
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 ≤ 54.76
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
N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 653424
Cambridge id 7111576
CID 2174265
N-{4-[5-(trifluoromethyl)pyridin-2-yl]phenyl}sulfamide
CID 44590549
N-(4-((2-(pyridin-3-yl)-5,6-dihydropyridin-3(4H)-ylidene)methyl)phenyl)acetamide
CID 46702691
Ethyl 4-(4-pyridinylmethyl)phenylcarbamate
CID 1508484
4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 11371933
3-(4-Methylaminobenzylidene)anabaseine
CID 46702382
tert-butyl N-[4-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]phenyl]carbamate
CID 46854610
tert-butyl N-[2-fluoro-4-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]phenyl]carbamate
CID 46854611
Tert-butyl 4-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate
CID 56682377
3-methyl-N-[4-(4-pyridinylmethyl)phenyl]butanamide
CID 2993109

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(2,2-difluoro-2-pyridin-2-ylethyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-(2,2-difluoro-2-pyridin-2-ylethyl)phenyl]carbamate (CID 146163172) is tert-butyl N-[4-(2,2-difluoro-2-pyridin-2-ylethyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(2,2-difluoro-2-pyridin-2-ylethyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(2,2-difluoro-2-pyridin-2-ylethyl)phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(CC(F)(F)c2ccccn2)cc1.
What is the InChIKey of tert-butyl N-[4-(2,2-difluoro-2-pyridin-2-ylethyl)phenyl]carbamate?
The InChIKey is YTEQCMBDGRJQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c1-17(2,3)24-16(23)22-14-9-7-13(8-10-14)12-18(19,20)15-6-4-5-11-21-15/h4-11H,12H2,1-3H3,(H,22,23).
What are the key properties of tert-butyl N-[4-(2,2-difluoro-2-pyridin-2-ylethyl)phenyl]carbamate?
tert-butyl N-[4-(2,2-difluoro-2-pyridin-2-ylethyl)phenyl]carbamate has a molecular weight of 334.37 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(2,2-difluoro-2-pyridin-2-ylethyl)phenyl]carbamate is sourced from PubChem (CID 146163172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).