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

C20H16F3N3O2 — CID 122303430

IUPAC2-(2,4-difluorophenyl)-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]acetamide
SMILESCc1nc(Oc2ccccc2F)nc(C)c1NC(=O)Cc1ccc(F)cc1F
InChIInChI=1S/C20H16F3N3O2/c1-11-19(26-18(27)9-13-7-8-14(21)10-16(13)23)12(2)25-20(24-11)28-17-6-4-3-5-15(17)22/h3-8,10H,9H2,1-2H3,(H,26,27)
InChIKeyKSBXRAADNIKSIL-UHFFFAOYSA-N
MW387.36 g/mol
LogP4.48
Rot. Bonds5

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

2-(2,4-difluorophenyl)-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]acetamide (PubChem CID 122303430) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]acetamide
PubChem CID122303430
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC Name2-(2,4-difluorophenyl)-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]acetamide
SMILESCc1nc(Oc2ccccc2F)nc(C)c1NC(=O)Cc1ccc(F)cc1F
InChIInChI=1S/C20H16F3N3O2/c1-11-19(26-18(27)9-13-7-8-14(21)10-16(13)23)12(2)25-20(24-11)28-17-6-4-3-5-15(17)22/h3-8,10H,9H2,1-2H3,(H,26,27)
InChIKeyKSBXRAADNIKSIL-UHFFFAOYSA-N
XLogP4.48
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-phenylacetamide
CID 122303244
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-pyrazol-1-ylacetamide
CID 122303464
N-[2-[(2,4-difluorophenyl)methoxy]-4,6-dimethylpyrimidin-5-yl]-3,3-dimethylbutanamide
CID 73388196
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-4-methylbenzamide
CID 122303223
3,5-difluoro-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]benzenesulfonamide
CID 122303511
2-(2,4-difluorophenyl)-N-(2,6-dimethylphenyl)acetamide
CID 110488922
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
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]-4-(trifluoromethyl)benzamide
CID 91969103
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3,5-dinitrobenzamide
CID 122303565

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]acetamide?
The IUPAC name of 2-(2,4-difluorophenyl)-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]acetamide (CID 122303430) is 2-(2,4-difluorophenyl)-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]acetamide is Cc1nc(Oc2ccccc2F)nc(C)c1NC(=O)Cc1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]acetamide?
The InChIKey is KSBXRAADNIKSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c1-11-19(26-18(27)9-13-7-8-14(21)10-16(13)23)12(2)25-20(24-11)28-17-6-4-3-5-15(17)22/h3-8,10H,9H2,1-2H3,(H,26,27).
What are the key properties of 2-(2,4-difluorophenyl)-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]acetamide?
2-(2,4-difluorophenyl)-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]acetamide has a molecular weight of 387.36 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]acetamide is sourced from PubChem (CID 122303430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).