N-[6-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2H-pyrimidin-1-yl]acetamide

C20H18F3N5O3 — CID 69244820

IUPACN-[6-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2H-pyrimidin-1-yl]acetamide
SMILESCC(=O)NN1CN=CC=C1Oc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H18F3N5O3/c1-13(29)27-28-12-24-10-9-18(28)31-17-7-5-15(6-8-17)25-19(30)26-16-4-2-3-14(11-16)20(21,22)23/h2-11H,12H2,1H3,(H,27,29)(H2,25,26,30)
InChIKeyXVHLFRATLURACT-UHFFFAOYSA-N
MW433.39 g/mol
LogP3.96
Rot. Bonds5

About N-[6-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2H-pyrimidin-1-yl]acetamide

N-[6-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2H-pyrimidin-1-yl]acetamide (PubChem CID 69244820) has the molecular formula C20H18F3N5O3 and a molecular weight of 433.39 g/mol. Its IUPAC name is N-[6-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2H-pyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[6-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2H-pyrimidin-1-yl]acetamide
PubChem CID69244820
Molecular FormulaC20H18F3N5O3
Molecular Weight433.39 g/mol
Exact Mass433.14
IUPAC NameN-[6-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2H-pyrimidin-1-yl]acetamide
SMILESCC(=O)NN1CN=CC=C1Oc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H18F3N5O3/c1-13(29)27-28-12-24-10-9-18(28)31-17-7-5-15(6-8-17)25-19(30)26-16-4-2-3-14(11-16)20(21,22)23/h2-11H,12H2,1H3,(H,27,29)(H2,25,26,30)
InChIKeyXVHLFRATLURACT-UHFFFAOYSA-N
XLogP3.96
TPSA95.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.39
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 970620
1-(3,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 971869
1-[4-(pyridin-4-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 10248635
1-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 47264322
1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 122306588
1-(3-ethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 878376
N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 1069109
4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-6,7-dihydropyrimido[5,4-b][1,4]oxazine-8-carboxylic acid
CID 135385786
1-[4-(4-methylpiperidin-1-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 108992236
1-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 50797457
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
1-(4-benzoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 134095686

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2H-pyrimidin-1-yl]acetamide?
The IUPAC name of N-[6-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2H-pyrimidin-1-yl]acetamide (CID 69244820) is N-[6-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2H-pyrimidin-1-yl]acetamide.
What is the SMILES notation for N-[6-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2H-pyrimidin-1-yl]acetamide?
The canonical SMILES for N-[6-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2H-pyrimidin-1-yl]acetamide is CC(=O)NN1CN=CC=C1Oc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[6-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2H-pyrimidin-1-yl]acetamide?
The InChIKey is XVHLFRATLURACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O3/c1-13(29)27-28-12-24-10-9-18(28)31-17-7-5-15(6-8-17)25-19(30)26-16-4-2-3-14(11-16)20(21,22)23/h2-11H,12H2,1H3,(H,27,29)(H2,25,26,30).
What are the key properties of N-[6-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2H-pyrimidin-1-yl]acetamide?
N-[6-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2H-pyrimidin-1-yl]acetamide has a molecular weight of 433.39 g/mol, XLogP of 3.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2H-pyrimidin-1-yl]acetamide is sourced from PubChem (CID 69244820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).