N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-phenylacetamide

C20H18FN3O2 — CID 122303244

IUPACN-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-phenylacetamide
SMILESCc1nc(Oc2ccccc2F)nc(C)c1NC(=O)Cc1ccccc1
InChIInChI=1S/C20H18FN3O2/c1-13-19(24-18(25)12-15-8-4-3-5-9-15)14(2)23-20(22-13)26-17-11-7-6-10-16(17)21/h3-11H,12H2,1-2H3,(H,24,25)
InChIKeyHLOUNIQIGVPRTP-UHFFFAOYSA-N
MW351.38 g/mol
LogP4.21
Rot. Bonds5

About N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-phenylacetamide

N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-phenylacetamide (PubChem CID 122303244) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-phenylacetamide
PubChem CID122303244
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC NameN-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-phenylacetamide
SMILESCc1nc(Oc2ccccc2F)nc(C)c1NC(=O)Cc1ccccc1
InChIInChI=1S/C20H18FN3O2/c1-13-19(24-18(25)12-15-8-4-3-5-9-15)14(2)23-20(22-13)26-17-11-7-6-10-16(17)21/h3-11H,12H2,1-2H3,(H,24,25)
InChIKeyHLOUNIQIGVPRTP-UHFFFAOYSA-N
XLogP4.21
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-difluorophenyl)-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]acetamide
CID 122303430
benzyl N-[2-[[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]amino]-2-oxoethyl]carbamate
CID 122303450
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-pyrazol-1-ylacetamide
CID 122303464
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-4-methylbenzamide
CID 122303223
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3-(3-methylthiophen-2-yl)propanamide
CID 122303499
4-chloro-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]benzamide
CID 91969101
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-4-(trifluoromethyl)benzamide
CID 91969103
1-(2,4-dimethylphenyl)-3-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]urea
CID 122303288
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3,4,5-trimethoxybenzamide
CID 122303234
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 122303389
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-5-nitrofuran-2-carboxamide
CID 122303336
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(3-methylphenyl)acetamide
CID 122302992

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-phenylacetamide?
The IUPAC name of N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-phenylacetamide (CID 122303244) is N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-phenylacetamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-phenylacetamide is Cc1nc(Oc2ccccc2F)nc(C)c1NC(=O)Cc1ccccc1.
What is the InChIKey of N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-phenylacetamide?
The InChIKey is HLOUNIQIGVPRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-13-19(24-18(25)12-15-8-4-3-5-9-15)14(2)23-20(22-13)26-17-11-7-6-10-16(17)21/h3-11H,12H2,1-2H3,(H,24,25).
What are the key properties of N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-phenylacetamide?
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-phenylacetamide has a molecular weight of 351.38 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-phenylacetamide is sourced from PubChem (CID 122303244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).