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

C20H17F2N3O2 — CID 53136960

IUPACN-[(4-fluorophenyl)methyl]-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide
SMILESCc1cc(OCC(=O)NCc2ccc(F)cc2)nc(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H17F2N3O2/c1-13-10-19(25-20(24-13)15-4-8-17(22)9-5-15)27-12-18(26)23-11-14-2-6-16(21)7-3-14/h2-10H,11-12H2,1H3,(H,23,26)
InChIKeyHTUHTRWKAYKQRO-UHFFFAOYSA-N
MW369.37 g/mol
LogP3.43
Rot. Bonds6

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

N-[(4-fluorophenyl)methyl]-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide (PubChem CID 53136960) has the molecular formula C20H17F2N3O2 and a molecular weight of 369.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide
PubChem CID53136960
Molecular FormulaC20H17F2N3O2
Molecular Weight369.37 g/mol
Exact Mass369.13
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide
SMILESCc1cc(OCC(=O)NCc2ccc(F)cc2)nc(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H17F2N3O2/c1-13-10-19(25-20(24-13)15-4-8-17(22)9-5-15)27-12-18(26)23-11-14-2-6-16(21)7-3-14/h2-10H,11-12H2,1H3,(H,23,26)
InChIKeyHTUHTRWKAYKQRO-UHFFFAOYSA-N
XLogP3.43
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(3,4,5-trimethoxyphenyl)acetamide
CID 95922334
2-[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(4-fluorophenyl)acetamide
CID 53136870
N,N-diethyl-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide
CID 53136931
2-[2-(3-fluoroanilino)-6-methylpyrimidin-4-yl]oxy-N-[(4-methylphenyl)methyl]acetamide
CID 95922735
2-(4-fluorophenyl)-4-methyl-6-phenylmethoxypyrimidine
CID 95922321
2-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 46391547
N-[(4-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 7919164
N-(2-bromophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide
CID 53136821
2-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 3624933
N-(2-methoxyphenyl)-2-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)oxyacetamide
CID 95923161
2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 7700855
2-(2-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 9427637

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide (CID 53136960) is N-[(4-fluorophenyl)methyl]-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide is Cc1cc(OCC(=O)NCc2ccc(F)cc2)nc(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide?
The InChIKey is HTUHTRWKAYKQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O2/c1-13-10-19(25-20(24-13)15-4-8-17(22)9-5-15)27-12-18(26)23-11-14-2-6-16(21)7-3-14/h2-10H,11-12H2,1H3,(H,23,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide?
N-[(4-fluorophenyl)methyl]-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide has a molecular weight of 369.37 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide is sourced from PubChem (CID 53136960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).