N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylpyridine-2-carboxamide

C16H12F6N2O2 — CID 118709863

IUPACN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1ccccn1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C16H12F6N2O2/c1-24(13(25)12-4-2-3-9-23-12)11-7-5-10(6-8-11)14(26,15(17,18)19)16(20,21)22/h2-9,26H,1H3
InChIKeyPWPJAJHMPMNNAV-UHFFFAOYSA-N
MW378.27 g/mol
LogP3.67
Rot. Bonds3

About N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylpyridine-2-carboxamide

N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylpyridine-2-carboxamide (PubChem CID 118709863) has the molecular formula C16H12F6N2O2 and a molecular weight of 378.27 g/mol. Its IUPAC name is N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylpyridine-2-carboxamide
PubChem CID118709863
Molecular FormulaC16H12F6N2O2
Molecular Weight378.27 g/mol
Exact Mass378.08
IUPAC NameN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1ccccn1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C16H12F6N2O2/c1-24(13(25)12-4-2-3-9-23-12)11-7-5-10(6-8-11)14(26,15(17,18)19)16(20,21)22/h2-9,26H,1H3
InChIKeyPWPJAJHMPMNNAV-UHFFFAOYSA-N
XLogP3.67
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylpyridine-2-carboxamide (CID 118709863) is N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylpyridine-2-carboxamide is CN(C(=O)c1ccccn1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylpyridine-2-carboxamide?
The InChIKey is PWPJAJHMPMNNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F6N2O2/c1-24(13(25)12-4-2-3-9-23-12)11-7-5-10(6-8-11)14(26,15(17,18)19)16(20,21)22/h2-9,26H,1H3.
What are the key properties of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylpyridine-2-carboxamide?
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylpyridine-2-carboxamide has a molecular weight of 378.27 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 118709863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).