N,N-diethyl-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide

C17H20FN3O2 — CID 53136931

IUPACN,N-diethyl-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide
SMILESCCN(CC)C(=O)COc1cc(C)nc(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H20FN3O2/c1-4-21(5-2)16(22)11-23-15-10-12(3)19-17(20-15)13-6-8-14(18)9-7-13/h6-10H,4-5,11H2,1-3H3
InChIKeyAIAJOGSVOVHWNO-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.84
Rot. Bonds6

About N,N-diethyl-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide

N,N-diethyl-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide (PubChem CID 53136931) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is N,N-diethyl-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide
PubChem CID53136931
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC NameN,N-diethyl-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide
SMILESCCN(CC)C(=O)COc1cc(C)nc(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H20FN3O2/c1-4-21(5-2)16(22)11-23-15-10-12(3)19-17(20-15)13-6-8-14(18)9-7-13/h6-10H,4-5,11H2,1-3H3
InChIKeyAIAJOGSVOVHWNO-UHFFFAOYSA-N
XLogP2.84
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide
CID 53136960
N-(4-acetylphenyl)-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide
CID 53136848
2-[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(4-fluorophenyl)acetamide
CID 53136870
methyl 4-[[2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetyl]amino]benzoate
CID 53136850
2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(3,4,5-trimethoxyphenyl)acetamide
CID 95922334
2-[2-(4-hydroxyphenyl)-6-methylpyrimidin-4-yl]oxyacetic acid
CID 135409286
2-(4-fluorophenyl)-4-methyl-6-phenylmethoxypyrimidine
CID 95922321
2-(4-fluorophenyl)-4-[(3-fluorophenyl)methoxy]-6-methylpyrimidine
CID 95922322
N,N-diethyl-2-[5-(4-fluorophenyl)thieno[3,2-b]pyridin-2-yl]oxyacetamide
CID 69228980
N,N-diethyl-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 78760744
N,N-diethyl-2-(5-fluoro-2-methylphenoxy)acetamide
CID 102975425
N-(5-fluoro-2-methylphenyl)-2-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetamide
CID 53136920

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide?
The IUPAC name of N,N-diethyl-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide (CID 53136931) is N,N-diethyl-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide.
What is the SMILES notation for N,N-diethyl-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide?
The canonical SMILES for N,N-diethyl-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide is CCN(CC)C(=O)COc1cc(C)nc(-c2ccc(F)cc2)n1.
What is the InChIKey of N,N-diethyl-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide?
The InChIKey is AIAJOGSVOVHWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-4-21(5-2)16(22)11-23-15-10-12(3)19-17(20-15)13-6-8-14(18)9-7-13/h6-10H,4-5,11H2,1-3H3.
What are the key properties of N,N-diethyl-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide?
N,N-diethyl-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide has a molecular weight of 317.36 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide is sourced from PubChem (CID 53136931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).