N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(trifluoromethoxy)benzamide

C20H16F3N3O3 — CID 122303779

IUPACN-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(trifluoromethoxy)benzamide
SMILESCc1nc(Oc2ccccc2)nc(C)c1NC(=O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C20H16F3N3O3/c1-12-17(13(2)25-19(24-12)28-15-8-4-3-5-9-15)26-18(27)14-7-6-10-16(11-14)29-20(21,22)23/h3-11H,1-2H3,(H,26,27)
InChIKeyRCVLWCMCSYUGCN-UHFFFAOYSA-N
MW403.36 g/mol
LogP5.04
Rot. Bonds5

About N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(trifluoromethoxy)benzamide

N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(trifluoromethoxy)benzamide (PubChem CID 122303779) has the molecular formula C20H16F3N3O3 and a molecular weight of 403.36 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(trifluoromethoxy)benzamide
PubChem CID122303779
Molecular FormulaC20H16F3N3O3
Molecular Weight403.36 g/mol
Exact Mass403.11
IUPAC NameN-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(trifluoromethoxy)benzamide
SMILESCc1nc(Oc2ccccc2)nc(C)c1NC(=O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C20H16F3N3O3/c1-12-17(13(2)25-19(24-12)28-15-8-4-3-5-9-15)26-18(27)14-7-6-10-16(11-14)29-20(21,22)23/h3-11H,1-2H3,(H,26,27)
InChIKeyRCVLWCMCSYUGCN-UHFFFAOYSA-N
XLogP5.04
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.36
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 91969154
3-(4-fluorophenoxy)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzamide
CID 122302849
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3,4,5-trimethoxybenzamide
CID 122303589
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-2,5-dimethylbenzamide
CID 122303609
1-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(3-methylphenyl)urea
CID 122303627
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-1-methyltriazole-4-carboxamide
CID 122303758
(2R)-2-[[3-(trifluoromethoxy)benzoyl]amino]propanoic acid
CID 120526943
(2S)-2-[[3-(trifluoromethoxy)benzoyl]amino]propanoic acid
CID 120525960
N-benzyl-3-(trifluoromethoxy)benzamide
CID 175307745
3-cyano-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzamide
CID 122302755
1-(4-tert-butylphenyl)-3-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)urea
CID 122303902
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-4-(trifluoromethyl)benzamide
CID 91969103

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(trifluoromethoxy)benzamide?
The IUPAC name of N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(trifluoromethoxy)benzamide (CID 122303779) is N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(trifluoromethoxy)benzamide is Cc1nc(Oc2ccccc2)nc(C)c1NC(=O)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(trifluoromethoxy)benzamide?
The InChIKey is RCVLWCMCSYUGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O3/c1-12-17(13(2)25-19(24-12)28-15-8-4-3-5-9-15)26-18(27)14-7-6-10-16(11-14)29-20(21,22)23/h3-11H,1-2H3,(H,26,27).
What are the key properties of N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(trifluoromethoxy)benzamide?
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(trifluoromethoxy)benzamide has a molecular weight of 403.36 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 122303779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).