N-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]-2-[3-(trifluoromethyl)anilino]acetamide

C26H21F3N4O2 — CID 46269845

IUPACN-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc(NC(=O)CNc3cccc(C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C26H21F3N4O2/c1-35-21-12-10-18(11-13-21)23-15-22(17-6-3-2-4-7-17)31-25(32-23)33-24(34)16-30-20-9-5-8-19(14-20)26(27,28)29/h2-15,30H,16H2,1H3,(H,31,32,33,34)
InChIKeyMRZCYVBZNGIHPU-UHFFFAOYSA-N
MW478.47 g/mol
LogP5.89
Rot. Bonds7

About N-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]-2-[3-(trifluoromethyl)anilino]acetamide

N-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]-2-[3-(trifluoromethyl)anilino]acetamide (PubChem CID 46269845) has the molecular formula C26H21F3N4O2 and a molecular weight of 478.47 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]-2-[3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]-2-[3-(trifluoromethyl)anilino]acetamide
PubChem CID46269845
Molecular FormulaC26H21F3N4O2
Molecular Weight478.47 g/mol
Exact Mass478.16
IUPAC NameN-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc(NC(=O)CNc3cccc(C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C26H21F3N4O2/c1-35-21-12-10-18(11-13-21)23-15-22(17-6-3-2-4-7-17)31-25(32-23)33-24(34)16-30-20-9-5-8-19(14-20)26(27,28)29/h2-15,30H,16H2,1H3,(H,31,32,33,34)
InChIKeyMRZCYVBZNGIHPU-UHFFFAOYSA-N
XLogP5.89
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.47
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-(4-methoxyanilino)acetamide
CID 50751113
N-[2-(4-methoxyphenoxy)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56540495
N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-(naphthalen-1-ylamino)acetamide
CID 46269868
N-[3-(4-methoxyphenyl)propyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56552526
2-(4-methoxyphenyl)-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]acetamide
CID 112999418
N-(3-methylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409922
N-[4-(2,2,2-trifluoroethoxy)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56550067
2-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine
CID 121284743
N-(2-methoxy-4-nitrophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 4792980
2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2213863
N-(3-propan-2-yloxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833563
2-(4-propan-2-yloxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54822451

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]-2-[3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]-2-[3-(trifluoromethyl)anilino]acetamide (CID 46269845) is N-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]-2-[3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]-2-[3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]-2-[3-(trifluoromethyl)anilino]acetamide is COc1ccc(-c2cc(-c3ccccc3)nc(NC(=O)CNc3cccc(C(F)(F)F)c3)n2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]-2-[3-(trifluoromethyl)anilino]acetamide?
The InChIKey is MRZCYVBZNGIHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N4O2/c1-35-21-12-10-18(11-13-21)23-15-22(17-6-3-2-4-7-17)31-25(32-23)33-24(34)16-30-20-9-5-8-19(14-20)26(27,28)29/h2-15,30H,16H2,1H3,(H,31,32,33,34).
What are the key properties of N-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]-2-[3-(trifluoromethyl)anilino]acetamide?
N-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]-2-[3-(trifluoromethyl)anilino]acetamide has a molecular weight of 478.47 g/mol, XLogP of 5.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]-2-[3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 46269845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).