N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]-2-(5-methyl-2-pyridinyl)acetamide

C18H16F6N2O2 — CID 159847941

IUPACN-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]-2-(5-methyl-2-pyridinyl)acetamide
SMILESCOC(c1ccc(NC(=O)Cc2ccc(C)cn2)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C18H16F6N2O2/c1-11-3-6-14(25-10-11)9-15(27)26-13-7-4-12(5-8-13)16(28-2,17(19,20)21)18(22,23)24/h3-8,10H,9H2,1-2H3,(H,26,27)
InChIKeySOJUSDRKMFGZSD-UHFFFAOYSA-N
MW406.33 g/mol
LogP4.54
Rot. Bonds5

About N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]-2-(5-methyl-2-pyridinyl)acetamide

N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]-2-(5-methyl-2-pyridinyl)acetamide (PubChem CID 159847941) has the molecular formula C18H16F6N2O2 and a molecular weight of 406.33 g/mol. Its IUPAC name is N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]-2-(5-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]-2-(5-methyl-2-pyridinyl)acetamide
PubChem CID159847941
Molecular FormulaC18H16F6N2O2
Molecular Weight406.33 g/mol
Exact Mass406.11
IUPAC NameN-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]-2-(5-methyl-2-pyridinyl)acetamide
SMILESCOC(c1ccc(NC(=O)Cc2ccc(C)cn2)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C18H16F6N2O2/c1-11-3-6-14(25-10-11)9-15(27)26-13-7-4-12(5-8-13)16(28-2,17(19,20)21)18(22,23)24/h3-8,10H,9H2,1-2H3,(H,26,27)
InChIKeySOJUSDRKMFGZSD-UHFFFAOYSA-N
XLogP4.54
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.33
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]-2-(5-methyl-2-pyridinyl)acetamide with MolForge

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Related Compounds

2-[5-(cyclopropylmethyl-methylidene-oxo-λ6-sulfanyl)-2-pyridinyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]acetamide;2-[5-(cyclopropylmethyl-methylidene-oxo-λ6-sulfanyl)pyrimidin-2-yl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide
CID 159440274
N-methyl-2-(5-methyl-2-pyridinyl)acetamide
CID 13400653
1,1,1-trifluoro-3-(5-methyl-2-pyridinyl)propan-2-one
CID 15357184
2-[5-[[2-(4-methylphenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107338384
N-[4-[(5-methyl-2-pyridinyl)methylamino]phenyl]propanamide
CID 80709466
N-(4-acetamidophenyl)-2-(5-amino-2-pyridinyl)acetamide
CID 107337507
N-(2-methoxypyrimidin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 122301631
N-(4-tert-butylphenyl)-2-(1,3-thiazol-4-yl)acetamide
CID 110462979
4-[[2-(5-amino-2-pyridinyl)acetyl]amino]benzoic acid
CID 107338179
4-[[2-(5-amino-2-pyridinyl)acetyl]amino]-N-tert-butylbenzamide;hydrochloride
CID 120619858
2-(5-amino-2-pyridinyl)-N-(4-propan-2-ylphenyl)acetamide
CID 107337408
N-(4-tert-butylphenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 50753766

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]-2-(5-methyl-2-pyridinyl)acetamide?
The IUPAC name of N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]-2-(5-methyl-2-pyridinyl)acetamide (CID 159847941) is N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]-2-(5-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]-2-(5-methyl-2-pyridinyl)acetamide?
The canonical SMILES for N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]-2-(5-methyl-2-pyridinyl)acetamide is COC(c1ccc(NC(=O)Cc2ccc(C)cn2)cc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]-2-(5-methyl-2-pyridinyl)acetamide?
The InChIKey is SOJUSDRKMFGZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F6N2O2/c1-11-3-6-14(25-10-11)9-15(27)26-13-7-4-12(5-8-13)16(28-2,17(19,20)21)18(22,23)24/h3-8,10H,9H2,1-2H3,(H,26,27).
What are the key properties of N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]-2-(5-methyl-2-pyridinyl)acetamide?
N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]-2-(5-methyl-2-pyridinyl)acetamide has a molecular weight of 406.33 g/mol, XLogP of 4.54, 5 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-methoxypropan-2-yl)phenyl]-2-(5-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 159847941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).