N-(2-methoxypyrimidin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide

C14H12F3N3O2 — CID 122301631

IUPACN-(2-methoxypyrimidin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ncc(NC(=O)Cc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C14H12F3N3O2/c1-22-13-18-7-11(8-19-13)20-12(21)6-9-2-4-10(5-3-9)14(15,16)17/h2-5,7-8H,6H2,1H3,(H,20,21)
InChIKeyDLXPHXJSFSDKBO-UHFFFAOYSA-N
MW311.26 g/mol
LogP2.69
Rot. Bonds4

About N-(2-methoxypyrimidin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide

N-(2-methoxypyrimidin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 122301631) has the molecular formula C14H12F3N3O2 and a molecular weight of 311.26 g/mol. Its IUPAC name is N-(2-methoxypyrimidin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxypyrimidin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID122301631
Molecular FormulaC14H12F3N3O2
Molecular Weight311.26 g/mol
Exact Mass311.09
IUPAC NameN-(2-methoxypyrimidin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ncc(NC(=O)Cc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C14H12F3N3O2/c1-22-13-18-7-11(8-19-13)20-12(21)6-9-2-4-10(5-3-9)14(15,16)17/h2-5,7-8H,6H2,1H3,(H,20,21)
InChIKeyDLXPHXJSFSDKBO-UHFFFAOYSA-N
XLogP2.69
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-N-(2-methoxypyrimidin-5-yl)acetamide
CID 71799750
N-(6-amino-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62901879
N-(4-acetamidophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51271866
2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 53152267
N-(2-ethoxypyrimidin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122302066
N-(3-pyrimidin-2-yloxyphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 39261092
2-(4-hydroxyphenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 14879849
N-(4-iodophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534873
2-methyl-2-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenyl]propanoic acid
CID 119253975
N-(2-methoxypyrimidin-5-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 91968408
2-(1H-indol-3-yl)-N-(2-methoxypyrimidin-5-yl)acetamide
CID 71799748
1-(4-ethylphenyl)-3-(2-methoxypyrimidin-5-yl)urea
CID 91968447

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypyrimidin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(2-methoxypyrimidin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide (CID 122301631) is N-(2-methoxypyrimidin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(2-methoxypyrimidin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(2-methoxypyrimidin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide is COc1ncc(NC(=O)Cc2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of N-(2-methoxypyrimidin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is DLXPHXJSFSDKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O2/c1-22-13-18-7-11(8-19-13)20-12(21)6-9-2-4-10(5-3-9)14(15,16)17/h2-5,7-8H,6H2,1H3,(H,20,21).
What are the key properties of N-(2-methoxypyrimidin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
N-(2-methoxypyrimidin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 311.26 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypyrimidin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 122301631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).